4-[4-클로로-3-(트리플루오로메틸)페닐]-4-피페리디놀

4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

HCID 89107CAS 21928-50-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCNCC1
InChIKey: RALRVIPTUXSBPO-UHFFFAOYSA-N
분자식: C12H13ClF3NO
평균 분자량: 279.68 g/mol
단동위원소 질량: 279.06377638

이름 및 식별자

우선 이름: 4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol
IUPAC: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
현지명: 4-[4-클로로-3-(트리플루오로메틸)페닐]-4-피페리디놀
영어명: 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol
분자식: C12H13ClF3NO
분자량: 279.69

이름 및 동의어

21928-50-74-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol4-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-piperidinolEINECS 244-665-7DTXSID10176341RefChem:514016DTXCID1098832244-665-7MFCD00066999JV5G3R6M8T

이름 더 보기

4-[4-클로로-3-(트리플루오로메틸)페닐]-4-피페리디놀PIPERIDINE ALCOHOLTIMTEC-BB SBB003024LABOTEST-BB LT004410264-(4-CHLORO-3-(TRIFLUOROMETHYL)-4-PIPERIDINOL4(3-TRIFLUOROMETHYL-4-CHLOROPHENYL)-4-PIPERIDINOL4-(3-trifluoromethyl-4-chloro)phonyl-4-pipridinol4-[(3-TRIFLUOROMETHYL-4-CHLORO)PHENYL]-4-PIPIDINOL4-4-Chloro-3-(trifluoromethyl)phenyl-4-piperindiol4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidino4-(4-chloro-3(trifluoromethyl) Phenyl)-4-piperdinol

4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol4-[4-chloro-3-trifluoromethylphenyl]-4-piperidinolPiperidinalkohol4-Piperidinol, 4-[4-chloro-3-(trifluoromethyl)phenyl]-PENFLURIDOL_met006UNII-JV5G3R6M8TSCHEMBL186535

데이터베이스 식별자

CAS: 21928-50-7
PubChem CID: 89107
DTXSID: DTXSID10176341
UNII: JV5G3R6M8T
EC Number: 244-665-7
Nikkaji: J225.486G

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 292

실험 및 물리화학적 성질

Collision Cross Section160.85 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 138 · 138-141 °C(lit.)
끓는 점: 333.3 · 333.3±42.0 °C(Predicted)
밀도: 1.2685 · 1.2685 (estimate)
저장 조건: 2 · 2-8°C, protect from light
용해도: 메탄올에 용해됨
산도 계수 (pKa): 13.55 · 13.55±0.20(Predicted)
물리적 상태: 미세 결정성 분말
색상: 베이지색
InChI: 1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKey: RALRVIPTUXSBPO-UHFFFAOYSA-N
SMILES: OC1(CCNCC1)c2ccc(Cl)c(c2)C(F)(F)F

화학적 성질

BEIGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.