[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone

C18H26N2O2 — CID 110909519

IUPAC[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-17(14-6-2-1-3-7-14)15-9-12-20(13-10-15)18(22)16-8-4-5-11-19-16/h1-3,6-7,15-17,19,21H,4-5,8-13H2
InChIKeyBQDLGQJMLANNLI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds3

About [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone (PubChem CID 110909519) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
PubChem CID110909519
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-17(14-6-2-1-3-7-14)15-9-12-20(13-10-15)18(22)16-8-4-5-11-19-16/h1-3,6-7,15-17,19,21H,4-5,8-13H2
InChIKeyBQDLGQJMLANNLI-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125151598
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880024
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone (CID 110909519) is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
The InChIKey is BQDLGQJMLANNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(14-6-2-1-3-7-14)15-9-12-20(13-10-15)18(22)16-8-4-5-11-19-16/h1-3,6-7,15-17,19,21H,4-5,8-13H2.
What are the key properties of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone?
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone is sourced from PubChem (CID 110909519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).