[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C23H27NO3 — CID 95894763

IUPAC[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(18-13-16-27-17-18)24-14-11-21(12-15-24)23(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,26H,11-17H2/t18-/m1/s1
InChIKeyKSGMAHLZUUAFMI-GOSISDBHSA-N
MW365.47 g/mol
LogP3.20
Rot. Bonds4

About [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 95894763) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID95894763
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c25-22(18-13-16-27-17-18)24-14-11-21(12-15-24)23(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,26H,11-17H2/t18-/m1/s1
InChIKeyKSGMAHLZUUAFMI-GOSISDBHSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 99928671
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 50846781
N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 90316665
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
CID 116563869
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 95894763) is [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone is O=C([C@@H]1CCOC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is KSGMAHLZUUAFMI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27NO3/c25-22(18-13-16-27-17-18)24-14-11-21(12-15-24)23(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,26H,11-17H2/t18-/m1/s1.
What are the key properties of [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 365.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 95894763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).