1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone

C18H21N3O2 — CID 77091494

IUPAC1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(13-15-5-1-3-9-19-15)21-11-7-14(8-12-21)18(23)16-6-2-4-10-20-16/h1-6,9-10,14,18,23H,7-8,11-13H2
InChIKeyOPTBZYIDDPGQFX-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.99
Rot. Bonds4

About 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone

1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 77091494) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID77091494
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(13-15-5-1-3-9-19-15)21-11-7-14(8-12-21)18(23)16-6-2-4-10-20-16/h1-6,9-10,14,18,23H,7-8,11-13H2
InChIKeyOPTBZYIDDPGQFX-UHFFFAOYSA-N
XLogP1.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 91839918
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 99930209
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99946774
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 124753532
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 91789092
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone (CID 77091494) is 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is OPTBZYIDDPGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(13-15-5-1-3-9-19-15)21-11-7-14(8-12-21)18(23)16-6-2-4-10-20-16/h1-6,9-10,14,18,23H,7-8,11-13H2.
What are the key properties of 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 311.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 77091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).