6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile

C14H19N3 — CID 58431342

IUPAC6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11(2)13-5-7-17(8-6-13)14-4-3-12(9-15)10-16-14/h3-4,10-11,13H,5-8H2,1-2H3
InChIKeyKDMIGYDGDICDOH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.83
Rot. Bonds2

About 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile

6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 58431342) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID58431342
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N3/c1-11(2)13-5-7-17(8-6-13)14-4-3-12(9-15)10-16-14/h3-4,10-11,13H,5-8H2,1-2H3
InChIKeyKDMIGYDGDICDOH-UHFFFAOYSA-N
XLogP2.83
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile (CID 58431342) is 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile is CC(C)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is KDMIGYDGDICDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)13-5-7-17(8-6-13)14-4-3-12(9-15)10-16-14/h3-4,10-11,13H,5-8H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 58431342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).