[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone

C23H28N2O2 — CID 10316732

IUPAC[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1
InChIKeyJAZCWPBIWQFGKP-FGZHOGPDSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds3

About [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone

[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 10316732) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
PubChem CID10316732
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1
InChIKeyJAZCWPBIWQFGKP-FGZHOGPDSA-N
XLogP3.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67183680
Asimadoline hydrochloride
CID 9846614
(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]methanone
CID 53391632
[4-(1-Hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
N-(2-hydroxyethyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 3153439
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
3-(4-Fluoro-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269859
1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-phenyl-1H-pyridin-2-one
CID 44269872
3-(4-Acetyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269901
2-{1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-2-oxo-1,2-dihydro-pyridin-3-yl}-benzaldehyde
CID 44269952
{4-[(4-Allyl-piperazin-1-yl)-phenyl-methyl]-phenyl}-piperidin-1-yl-methanone
CID 44275568

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone (CID 10316732) is [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is JAZCWPBIWQFGKP-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 364.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 10316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).