4-(4-플루오로벤조일)피페리딘

4-(4-Fluorobenzoyl)piperidine

HCID 2724440

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56346-57-7
표준 SMILES: O=C(c1ccc(F)cc1)C1CCNCC1
InChIKey: ABERUOJGWHYBJL-UHFFFAOYSA-N
분자식: C12H14FNO
평균 분자량: 207.24 g/mol
단동위원소 질량: 207.10594229

이름 및 식별자

우선 이름: 4-(4-Fluorobenzoyl)piperidine
IUPAC: (4-fluorophenyl)-piperidin-4-ylmethanone
현지명: 4-(4-플루오로벤조일)피페리딘
영어명: 4-(4-Fluorobenzoyl)piperidine
분자식: C12H14FNO
분자량: 207.24

이름 및 동의어

4-(4-Fluorobenzoyl)piperidine56346-57-7METHANONE, (4-FLUOROPHENYL)-4-PIPERIDINYL-(4-fluorophenyl)-4-piperidinylmethanone4K4JJ6US7T4-(P-FLUOROBENZOYL)PIPERIDINERefChem:97230803-927-6(4-fluorophenyl)(piperidin-4-yl)methanone4-(4-fluoro-benzoyl)-piperidineMFCD03411595(4-fluorophenyl)-piperidin-4-ylmethanone

이름 더 보기

4-(4-플루오로벤조일)피페리딘Paliperidone Impurity 534-(4-Fluorobenzoyl)piperidin4-[(3-fluorophenyl)carbonyl]piperidine4-(4-FLUOROBENZOYL)PIPERIDINE(WXFC1042)(3-fluorophenyl)(piperidin-4-yl)methanone4-(4-Fluorobenzoyl)piperidine, CAS 56346-57-7

(4-Fluoro-phenyl)-piperidin-4-yl-methanoneCHEMBL1481894-(4-fluorobenzoyl)-piperidine4-fluorophenyl-4-piperidinyl methanone(4-fluorophenyl)(4-piperidinyl)methanoneKETANSERIN_met030Maybridge1_003304PIRENPERONE_met025

데이터베이스 식별자

CAS: 56346-57-7
PubChem CID: 2724440
DTXSID: DTXSID001347223
ChEMBL: CHEMBL148189
UNII: 4K4JJ6US7T
EC Number: 803-927-6
Nikkaji: J257.413F

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 218

실험 및 물리화학적 성질

Collision Cross Section145.06 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 225 · 225-227 °C
끓는 점: 323.2 · 323.2±32.0 °C(Predicted)
밀도: 1.128 · 1.128±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.69 · 9.69±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.