1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile

C14H21N3 — CID 123180651

IUPAC1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=CC=CN2C)CC1
InChIInChI=1S/C14H21N3/c1-3-17-10-7-14(12-15,8-11-17)13-6-4-5-9-16(13)2/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyIOEHBWRYYAMIDZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.00
Rot. Bonds2

About 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile

1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile (PubChem CID 123180651) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile
PubChem CID123180651
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(C2C=CC=CN2C)CC1
InChIInChI=1S/C14H21N3/c1-3-17-10-7-14(12-15,8-11-17)13-6-4-5-9-16(13)2/h4-6,9,13H,3,7-8,10-11H2,1-2H3
InChIKeyIOEHBWRYYAMIDZ-UHFFFAOYSA-N
XLogP2.00
TPSA30.27 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile (CID 123180651) is 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile is CCN1CCC(C#N)(C2C=CC=CN2C)CC1.
What is the InChIKey of 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile?
The InChIKey is IOEHBWRYYAMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-17-10-7-14(12-15,8-11-17)13-6-4-5-9-16(13)2/h4-6,9,13H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile?
1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 123180651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).