4-[3-(트리플루오로메틸)페닐]-1-피페라진에탄올

4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol

HCID 217994

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40004-29-3
표준 SMILES: OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIKey: FTMNSXDJPJHNSF-UHFFFAOYSA-N
분자식: C13H17F3N2O
평균 분자량: 274.28 g/mol
단동위원소 질량: 274.12929766

이름 및 식별자

우선 이름: 4-(3-(Trifluoromethyl)phenyl)-1-piperazineethanol
IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
현지명: 4-[3-(트리플루오로메틸)페닐]-1-피페라진에탄올
영어명: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol
분자식: C13H17F3N2O
분자량: 274.28

이름 및 동의어

40004-29-3Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanolDTXSID901930714-(3-(Trifluoromethyl)phenyl)-1-piperazineethanolRefChem:1069882DTXCID001155622-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol2-[4-(3-Trifluoromethylphenyl)-1-piperazinyl]propanol2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-olBRN 06185924-(3-trifluoromethylphenyl)-1-piperazine-ethanol

이름 더 보기

4-[3-(트리플루오로메틸)페닐]-1-피페라진에탄올1-Piperazineethanol, 4-[3-(trifluoromethyl)phenyl]-2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanolN-2-hydroxyethyl-N'-(3-trifluoromethylphenyl)-piperazine

4-[3-trifluoromethylphenyl]-1-piperazine-ethanolm-Trifluoro-methyl-4-phenyl-1-piperazinoethanol1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-4-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazineethanol2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl) ethanol5-23-01-00449 (Beilstein Handbook Reference)SCHEMBL8373462AKOS010307718

데이터베이스 식별자

CAS: 40004-29-3
PubChem CID: 217994
DTXSID: DTXSID90193071
Nikkaji: J50.631A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 278

물리화학적 성질

끓는 점: 369.9 · 369.9±42.0 °C(Predicted)
밀도: 1.239 · 1.239±0.06 g/cm3(Predicted)
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.96 · 14.96±0.10(Predicted)
물리적 상태: 저융점 고체
색상: 흰색에서 황백색까지

화학 및 산업

응용 분야

용도2-[4-(3-Trifluoromethylphenyl)-1-piperazinyl]propanol is an intermediate in the synthesis of Antrafenine (A697800), a phenylpiperazine derivative drug used as an analgesic and anti-inflammatory.