1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol

C20H23N5O — CID 154756737

IUPAC1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2cccc(-c3cccnc3)c2)C1
InChIInChI=1S/C20H23N5O/c26-20(16-25-11-9-22-23-25)7-3-10-24(15-20)14-17-4-1-5-18(12-17)19-6-2-8-21-13-19/h1-2,4-6,8-9,11-13,26H,3,7,10,14-16H2
InChIKeyHBNGSFCONOOACW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.37
Rot. Bonds5

About 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol

1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 154756737) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID154756737
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(Cc2cccc(-c3cccnc3)c2)C1
InChIInChI=1S/C20H23N5O/c26-20(16-25-11-9-22-23-25)7-3-10-24(15-20)14-17-4-1-5-18(12-17)19-6-2-8-21-13-19/h1-2,4-6,8-9,11-13,26H,3,7,10,14-16H2
InChIKeyHBNGSFCONOOACW-UHFFFAOYSA-N
XLogP2.37
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 128979303
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
(4aS,8aS)-6-[(3-pyridin-3-ylphenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 129378896
1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
CID 75470884
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 154800249
1-[(3-fluorophenyl)methyl]-N-methyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229581
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
5-chloro-2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 154736395
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
CID 166244720
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
formamide;1-[(3-pyridin-3-ylphenyl)methyl]cyclohexan-1-amine
CID 144756966

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 154756737) is 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol is OC1(Cn2ccnn2)CCCN(Cc2cccc(-c3cccnc3)c2)C1.
What is the InChIKey of 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is HBNGSFCONOOACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(16-25-11-9-22-23-25)7-3-10-24(15-20)14-17-4-1-5-18(12-17)19-6-2-8-21-13-19/h1-2,4-6,8-9,11-13,26H,3,7,10,14-16H2.
What are the key properties of 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol?
1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 349.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyridin-3-ylphenyl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 154756737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).