1-BOC-4-[(2-메틸페닐)메틸]-4-(하이드록시메틸)-피페리딘
Tert-butyl 4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]piperidine-1-carboxylate
기본 정보
- CAS
177990-54-4- 표준 SMILES
Cc1ccccc1CC1(CO)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
LPZTUHKLXRAZNQ-UHFFFAOYSA-N- 분자식
- C19H29NO3
- 평균 분자량
- 319.4 g/mol
- 단동위원소 질량
- 319.21474379
이름 및 식별자
- 우선 이름
- Tert-butyl 4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]piperidine-1-carboxylate
- 현지명
- 1-BOC-4-[(2-메틸페닐)메틸]-4-(하이드록시메틸)-피페리딘
- 영어명
- 1-Boc-4-[(2-methylphenyl)methyl]-4-(hydroxymethyl)-piperidine
- 분자식
- C19H29NO3
- 분자량
- 319.44
이름 및 동의어
177990-54-4tert-butyl 4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]piperidine-1-carboxylateLPZTUHKLXRAZNQ-UHFFFAOYSA-NSCHEMBL7840954DA-09162N-t-Butoxycarbonyl-4-hydroxymethyl-4-(2-methylbenzyl)piperidineN-t-Butoxycarbonyl-4-hydroxymethyl-4-(2-methylbenzyl) piperidine1-BOC-4-[(2-메틸페닐)메틸]-4-(하이드록시메틸)-피페리딘1-Boc-4-[(2-methylphenyl)methyl]-4-(hydroxymethyl)-piperidine4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-[(2-methylphenyl)methyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
177990-54-4- PubChem CID
- 21193307
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 394
관련 반응
7건
화합물 노트
불러오는 중…