엠피피피;데스메틸프로딘;4-피페딘올,1-메틸-4-페닐-,프로파노에이트(에스터)

4-propionyloxy-4-phenyl-N-methylpiperidine

HCID 61583CAS 13147-09-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(=O)OC1(c2ccccc2)CCN(C)CC1
InChIKey: BCQMRZRAWHNSBF-UHFFFAOYSA-N
분자식: C15H21NO2
평균 분자량: 247.33 g/mol
단동위원소 질량: 247.15722891

개요

Desmethylprodine is an organic molecular entity. It has a role as an opioid analgesic.

이름 및 식별자

우선 이름: 4-propionyloxy-4-phenyl-N-methylpiperidine
IUPAC: (1-methyl-4-phenylpiperidin-4-yl) propanoate
현지명: 엠피피피;데스메틸프로딘;4-피페딘올,1-메틸-4-페닐-,프로파노에이트(에스터)
영어명: 4-propionyloxy-4-phenyl-N-methylpiperidine
분자식: C15H21NO2
분자량: 247.33

이름 및 동의어

PPMP4-PROPIONYLOXY-4-PHENYL-N-METHYLPIPERIDINERefChem:132253Desmethylprodine3-DemethylprodineMPPP13147-09-61-Methyl-4-phenyl-4-propionoxypiperidineSynthetic heroin1-Methyl-4-phenyl-4-piperidinol propionateIK 13UNII-07SGC963IR

이름 더 보기

엠피피피데스메틸프로딘4-피페딘올,1-메틸-4-페닐-,프로파노에이트(에스터)4-프로피오닐옥시-4-페닐-N-메틸피페리딘4-PROPIONYLOXY-4-PHEDesmethylprodine, MPPPBCQMRZRAWHNSBF-UHFFFAOYSA-N(1-methyl-4-phenyl-4-piperidyl) propanoate1-Methyl-4-phenylpiperidin-4-ol propanoate1-Methyl-4-phenyl-4-piperidinol propanoate1-Methyl-4-phenyl-4-(propionyloxy)piperidine

(1-methyl-4-phenylpiperidin-4-yl) propanoate07SGC963IR4-Piperidinol, 1-methyl-4-phenyl-, propanoate (ester)DEA No. 9661Propionic acid, 1-methyl-4-phenyl-4-piperidyl esterNCGC00247683-01DTXSID801570611-Methyl-4-phenylpiperidin-4-yl propanoate

데이터베이스 식별자

CAS: 13147-09-6
PubChem CID: 61583
DTXSID: DTXSID80157061
ChEMBL: CHEMBL279865
ChEBI: CHEBI:233164
UNII: 07SGC963IR
Nikkaji: J276.357E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 276

실험 및 물리화학적 성질

Drugs · 3건

DEA NFLIS-Drug Category -> Narcotic Analgesics

DEA Schedule I Controlled Substance -> Opiates

Pharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 182 · 182-183 °C(Solv: acetone (67-64-1))
끓는 점: 115 · 115-117 °C(Press: 0.75 Torr)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
산도 계수 (pKa): 7.1 · 7.10±0.10(Predicted)

안전 및 규제

유해성 정보

Regulatory InformationDEA schedule I controlled substance

안전 데이터

DEA Controlled Substances: CSCN: 9661CSA SCH: Schedule INARC: Yes

연결된 노트

불러오는 중…