tert-butyl (3RS,4RS)-4-(4-(2-hydroxy-ethoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

HCID 54366502

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(OCCO)cc2)C(OCc2ccc3ccccc3c2)C1
InChIKey: UQDVRZMOHUIMMQ-UHFFFAOYSA-N
분자식: C29H35NO5
평균 분자량: 477.6 g/mol

이름 및 식별자

우선 이름: tert-butyl (3RS,4RS)-4-(4-(2-hydroxy-ethoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
IUPAC: tert-butyl 4-[4-(2-hydroxyethoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

이름 및 동의어

tert-butyl (3RS,4RS)-4-(4-(2-hydroxy-ethoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylatetert-butyl (3RS,4RS)-4-[4-(2-hydroxy-ethoxy)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylateUQDVRZMOHUIMMQ-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID: 54366502

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 68.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 35
형식 전하: 0
복잡도: 656

관련 반응

34건

반응 기록 만들기

HRID 144620반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145766반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174241반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 198337반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 283090반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 299785반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 678077반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 952031반응물로Validation data from https://doi.org/10.1039/C8SC04228D

화합물 노트

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