5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile

C12H15N3O — CID 115871405

IUPAC5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1(O)CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O/c1-12(16)5-2-6-15(9-12)11-4-3-10(7-13)14-8-11/h3-4,8,16H,2,5-6,9H2,1H3
InChIKeyAPTSMOAMAAAMRQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.30
Rot. Bonds1

About 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile

5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 115871405) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID115871405
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
SMILESCC1(O)CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H15N3O/c1-12(16)5-2-6-15(9-12)11-4-3-10(7-13)14-8-11/h3-4,8,16H,2,5-6,9H2,1H3
InChIKeyAPTSMOAMAAAMRQ-UHFFFAOYSA-N
XLogP1.30
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
1-(6-cyano-3-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 113320480
1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 115487290
5-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 129482258
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
5-[(4S)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 125139702
1-(6-cyano-3-pyridinyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115487309
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile (CID 115871405) is 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile is CC1(O)CCCN(c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is APTSMOAMAAAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(16)5-2-6-15(9-12)11-4-3-10(7-13)14-8-11/h3-4,8,16H,2,5-6,9H2,1H3.
What are the key properties of 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile?
5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115871405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).