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

C20H23N3 — CID 2976184

IUPAC2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H23N3/c1-15-12-16(2)22-20(19(15)14-21)23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3
InChIKeyCOCOROMRAHHIOL-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.03
Rot. Bonds3

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

2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 2976184) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID2976184
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H23N3/c1-15-12-16(2)22-20(19(15)14-21)23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3
InChIKeyCOCOROMRAHHIOL-UHFFFAOYSA-N
XLogP4.03
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 2976184) is 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is COCOROMRAHHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-15-12-16(2)22-20(19(15)14-21)23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 305.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 2976184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).