3-(2-piperidin-1-ylethylamino)benzonitrile

C14H19N3 — CID 102815794

IUPAC3-(2-piperidin-1-ylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H19N3/c15-12-13-5-4-6-14(11-13)16-7-10-17-8-2-1-3-9-17/h4-6,11,16H,1-3,7-10H2
InChIKeyCHVHDNAKFLHBID-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-piperidin-1-ylethylamino)benzonitrile

3-(2-piperidin-1-ylethylamino)benzonitrile (PubChem CID 102815794) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylamino)benzonitrile.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylamino)benzonitrile
PubChem CID102815794
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(2-piperidin-1-ylethylamino)benzonitrile
SMILESN#Cc1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H19N3/c15-12-13-5-4-6-14(11-13)16-7-10-17-8-2-1-3-9-17/h4-6,11,16H,1-3,7-10H2
InChIKeyCHVHDNAKFLHBID-UHFFFAOYSA-N
XLogP2.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-morpholin-4-ylethylamino)benzonitrile
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N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
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3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
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N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
4-[2-(azepan-1-yl)ethylamino]-3-bromobenzonitrile
CID 82809933
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390
3-(4-aminobutylamino)benzonitrile
CID 94253346
3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylamino)benzonitrile?
The IUPAC name of 3-(2-piperidin-1-ylethylamino)benzonitrile (CID 102815794) is 3-(2-piperidin-1-ylethylamino)benzonitrile.
What is the SMILES notation for 3-(2-piperidin-1-ylethylamino)benzonitrile?
The canonical SMILES for 3-(2-piperidin-1-ylethylamino)benzonitrile is N#Cc1cccc(NCCN2CCCCC2)c1.
What is the InChIKey of 3-(2-piperidin-1-ylethylamino)benzonitrile?
The InChIKey is CHVHDNAKFLHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-12-13-5-4-6-14(11-13)16-7-10-17-8-2-1-3-9-17/h4-6,11,16H,1-3,7-10H2.
What are the key properties of 3-(2-piperidin-1-ylethylamino)benzonitrile?
3-(2-piperidin-1-ylethylamino)benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylamino)benzonitrile is sourced from PubChem (CID 102815794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).