4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol

C16H19N3O — CID 126470029

IUPAC4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H19N3O/c20-16(15-4-2-8-18-12-15)5-9-19(10-6-16)13-14-3-1-7-17-11-14/h1-4,7-8,11-12,20H,5-6,9-10,13H2
InChIKeyDNGZTXCBAJLIES-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol (PubChem CID 126470029) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
PubChem CID126470029
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H19N3O/c20-16(15-4-2-8-18-12-15)5-9-19(10-6-16)13-14-3-1-7-17-11-14/h1-4,7-8,11-12,20H,5-6,9-10,13H2
InChIKeyDNGZTXCBAJLIES-UHFFFAOYSA-N
XLogP1.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
1-[[4-[(4-methylphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 42171977
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 651160
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol (CID 126470029) is 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol is OC1(c2cccnc2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The InChIKey is DNGZTXCBAJLIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(15-4-2-8-18-12-15)5-9-19(10-6-16)13-14-3-1-7-17-11-14/h1-4,7-8,11-12,20H,5-6,9-10,13H2.
What are the key properties of 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 126470029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).