1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol

C21H25NO — CID 11771239

IUPAC1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol
SMILESOC1(C2CCCCN2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO/c23-21(14-15-21)19-13-7-8-16-22(19)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,23H,7-8,13-16H2
InChIKeyIKJWQDKVQNFIJK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.16
Rot. Bonds4

About 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol

1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol (PubChem CID 11771239) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol
PubChem CID11771239
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol
SMILESOC1(C2CCCCN2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25NO/c23-21(14-15-21)19-13-7-8-16-22(19)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,23H,7-8,13-16H2
InChIKeyIKJWQDKVQNFIJK-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-benzhydrylaziridin-2-ol
CID 22253575
(1S,2S)-2-amino-1-(1-benzhydrylpiperidin-2-yl)-3-(3,5-difluorophenyl)propan-1-ol
CID 69194236
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
1-[(2S,4R)-4-(1-hydroxycyclopentyl)-1-[(1S)-1-phenylethyl]azetidin-2-yl]cyclopentan-1-ol
CID 101046783
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
1-[(3-phenoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 5227464
1-[(3-fluoro-4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4202858
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol (CID 11771239) is 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol is OC1(C2CCCCN2C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol?
The InChIKey is IKJWQDKVQNFIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(14-15-21)19-13-7-8-16-22(19)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,23H,7-8,13-16H2.
What are the key properties of 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol?
1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylpiperidin-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 11771239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).