1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile

C14H21N3 — CID 123576669

IUPAC1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2=NCC(C)C=C2)CC1
InChIInChI=1S/C14H21N3/c1-3-17-8-6-14(11-15,7-9-17)13-5-4-12(2)10-16-13/h4-5,12H,3,6-10H2,1-2H3
InChIKeyRPHGFNZPPLIXTE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.26
Rot. Bonds2

About 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile

1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile (PubChem CID 123576669) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile
PubChem CID123576669
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2=NCC(C)C=C2)CC1
InChIInChI=1S/C14H21N3/c1-3-17-8-6-14(11-15,7-9-17)13-5-4-12(2)10-16-13/h4-5,12H,3,6-10H2,1-2H3
InChIKeyRPHGFNZPPLIXTE-UHFFFAOYSA-N
XLogP2.26
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile (CID 123576669) is 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile is CCN1CCC(C#N)(C2=NCC(C)C=C2)CC1.
What is the InChIKey of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile?
The InChIKey is RPHGFNZPPLIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17-8-6-14(11-15,7-9-17)13-5-4-12(2)10-16-13/h4-5,12H,3,6-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile?
1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methyl-2,3-dihydropyridin-6-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 123576669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).