1-[(1s,2s)-2-Hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-4-phenylpiperidin-4-ol

HCID 10065020

기본 정보

표준 SMILES
CC(C(O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1
InChIKey
QEMSVZNTSXPFJA-UHFFFAOYSA-N
분자식
C20H25NO3
평균 분자량
327.4 g/mol
단동위원소 질량
327.18344366

이름 및 식별자

우선 이름
1-[(1s,2s)-2-Hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-4-phenylpiperidin-4-ol
IUPAC
1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol

이름 및 동의어

1-[(1s,2s)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-4-phenylpiperidin-4-oltraxoprodil(cp-101,606)SCHEMBL5517640QEMSVZNTSXPFJA-UHFFFAOYSA-NNHA59167AKOS032947581SB12104LS-147981-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol1-[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-olracemic 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol

데이터베이스 식별자

PubChem CID
10065020

물성

구조 계산 물성

XLogP
2.3
극성 표면적
63.9 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
24

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4건

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