4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile

C15H23N3 — CID 123853949

IUPAC4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=C(C)C=CN2C)CC1
InChIInChI=1S/C15H23N3/c1-4-18-9-6-15(12-16,7-10-18)14-11-13(2)5-8-17(14)3/h5,8,11,14H,4,6-7,9-10H2,1-3H3
InChIKeyYKTQIABHJHKZII-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.39
Rot. Bonds2

About 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile

4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile (PubChem CID 123853949) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
PubChem CID123853949
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=C(C)C=CN2C)CC1
InChIInChI=1S/C15H23N3/c1-4-18-9-6-15(12-16,7-10-18)14-11-13(2)5-8-17(14)3/h5,8,11,14H,4,6-7,9-10H2,1-3H3
InChIKeyYKTQIABHJHKZII-UHFFFAOYSA-N
XLogP2.39
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile (CID 123853949) is 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile is CCN1CCC(C#N)(C2C=C(C)C=CN2C)CC1.
What is the InChIKey of 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile?
The InChIKey is YKTQIABHJHKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-18-9-6-15(12-16,7-10-18)14-11-13(2)5-8-17(14)3/h5,8,11,14H,4,6-7,9-10H2,1-3H3.
What are the key properties of 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile?
4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-2H-pyridin-2-yl)-1-ethylpiperidine-4-carbonitrile is sourced from PubChem (CID 123853949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).