2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C13H17N3O — CID 60658799

IUPAC2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(O)C2)n1
InChIInChI=1S/C13H17N3O/c1-9-6-10(2)15-13(12(9)7-14)16-5-3-4-11(17)8-16/h6,11,17H,3-5,8H2,1-2H3
InChIKeySYSQFNSWSFAZHV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.53
Rot. Bonds1

About 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60658799) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60658799
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(O)C2)n1
InChIInChI=1S/C13H17N3O/c1-9-6-10(2)15-13(12(9)7-14)16-5-3-4-11(17)8-16/h6,11,17H,3-5,8H2,1-2H3
InChIKeySYSQFNSWSFAZHV-UHFFFAOYSA-N
XLogP1.53
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 60658799) is 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCCC(O)C2)n1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SYSQFNSWSFAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-10(2)15-13(12(9)7-14)16-5-3-4-11(17)8-16/h6,11,17H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).