CAS 138163-07-2 1-Benzyl 4-methyl piperidine-1,4-dicarboxylate (HCID 1512544)

기본 정보

CAS: 138163-07-2
표준 SMILES: COC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: SLMXUTJFULFSMQ-UHFFFAOYSA-N
분자식: C15H19NO4
평균 분자량: 277.31 g/mol
단동위원소 질량: 277.13140809

이름 및 식별자

우선 이름: 1-Benzyl 4-methyl piperidine-1,4-dicarboxylate
IUPAC: 1-O-benzyl 4-O-methyl piperidine-1,4-dicarboxylate
현지명: 4-카르복시메톡시-피페리딘-1-카르복실산벤질에스테르
영어명: 4-Carboxymethoxy-piperidine-1-carboxylic acid benzyl ester
분자식: C15H19NO4
분자량: 277.32

이름 및 동의어

138163-07-21-benzyl 4-methyl piperidine-1,4-dicarboxylateN-Cbz-4-piperidinecarboxylic acid methyl esterMETHYL 1-CBZ-PIPERIDINE-4-CARBOXYLATE1,4-Piperidinedicarboxylic acid, 4-methyl 1-(phenylmethyl) esterMFCD06203777O1-benzyl O4-methyl piperidine-1,4-dicarboxylate1-O-benzyl 4-O-methyl piperidine-1,4-dicarboxylatePiperidine-1,4-dicarboxylic acid 1-benzyl ester 4-methyl esterMethyl 1-Cbz-Isonipecotate(1-N-Cbz-piperidin-4-yloxy)acetic acidBenzyl Methyl Piperidine-1,4-dicarboxylate

이름 더 보기

4-카르복시메톡시-피페리딘-1-카르복실산벤질에스테르RARECHEM AL BF 0487Methyl 1-Cbz-piperidine-4...N-CBZ-4-CARBOXYMETHOXY-PIPERIDINECbz-isonipecotic acid methyl esterN-Cbz-isonipecotic acid methyl ester1-(N-CBZ-PIPERIDIN-4-YLOXY)ACETIC ACID1-CBZ-4-piperidinecarboxylicacimethylester

SCHEMBL485156DTXSID10363719SLMXUTJFULFSMQ-UHFFFAOYSA-NAB6239AKOS008934847PB20141Methyl N- Cbz -piperidine-4-carboxylateAS-11235

데이터베이스 식별자

CAS: 138163-07-2
PubChem CID: 1512544
DTXSID: DTXSID10363719

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 331

물리화학적 성질

끓는 점: 390.4 · 390.4±42.0 °C(Predicted)
밀도: 1.187 · 1.187±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -2.34 · -2.34±0.40(Predicted)
InChI: InChI=1S/C15H19NO4/c1-19-14(17)13-7-9-16(10-8-13)15(18)20-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKey: SLMXUTJFULFSMQ-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(C(OC)=O)CC1