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

C23H28N2O2 — CID 54466721

IUPAC[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C(O)C1
InChIInChI=1S/C23H28N2O2/c26-22-17-25(23(27)20-9-5-2-6-10-20)16-13-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2
InChIKeyXFKFFRIWWQUUHS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds3

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

[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 54466721) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
PubChem CID54466721
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C(O)C1
InChIInChI=1S/C23H28N2O2/c26-22-17-25(23(27)20-9-5-2-6-10-20)16-13-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2
InChIKeyXFKFFRIWWQUUHS-UHFFFAOYSA-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

phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[1-(1-benzoyl-3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67993225
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
(3-chlorophenyl)-[(3R,4S)-3-phenyl-4-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 102020263
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;oxalic acid
CID 53392069
phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
CID 142015550
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
CID 140969221
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[(4S,5S)-4-hydroxy-5-(4-methyl-1,4-diazepan-1-yl)azepan-1-yl]-phenylmethanone
CID 110128311
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone (CID 54466721) is [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(N2CCC(c3ccccc3)CC2)C(O)C1.
What is the InChIKey of [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is XFKFFRIWWQUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22-17-25(23(27)20-9-5-2-6-10-20)16-13-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2.
What are the key properties of [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone?
[3-hydroxy-4-(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 [3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 54466721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).