2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile

C15H27N3 — CID 103766604

IUPAC2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile
SMILESCN1CCCCC1CCN(CC#N)C1CCCC1
InChIInChI=1S/C15H27N3/c1-17-11-5-4-6-14(17)9-12-18(13-10-16)15-7-2-3-8-15/h14-15H,2-9,11-13H2,1H3
InChIKeyHPKYRANDNOFEGJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.63
Rot. Bonds5

About 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile

2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile (PubChem CID 103766604) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile
PubChem CID103766604
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile
SMILESCN1CCCCC1CCN(CC#N)C1CCCC1
InChIInChI=1S/C15H27N3/c1-17-11-5-4-6-14(17)9-12-18(13-10-16)15-7-2-3-8-15/h14-15H,2-9,11-13H2,1H3
InChIKeyHPKYRANDNOFEGJ-UHFFFAOYSA-N
XLogP2.63
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

1-(2-Cyanoethyl)-2-pipecoline
CID 574530
2-(2-Methylpiperidin-1-yl)acetonitrile
CID 22688889
1-Methyl-2-(2-pyrrolidin-1-ylethyl)piperidine
CID 54046510
(2,6-Dimethylpiperidin-1-yl)acetonitrile
CID 12765385
2-(2-Ethylpiperidin-1-yl)acetonitrile
CID 6422532
3-(2-Ethylpiperidin-1-yl)propionitrile
CID 6422984
4-(2-Ethylpiperidin-1-yl)butironitrile
CID 6424204
N-(4-Cyanobutyl)-2-ethylpiperidine
CID 6424517
Hbgndacdnfehrj-uhfffaoysa-
CID 12957467
3-(1-Methylpiperidin-2-yl)propanenitrile
CID 13343849
2-[2-[2-(Dimethylamino)ethyl]piperidin-1-yl]acetonitrile
CID 14209986
4-(2,6-Dimethylpiperidin-1-yl)butanenitrile
CID 15589482

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile (CID 103766604) is 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile is CN1CCCCC1CCN(CC#N)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile?
The InChIKey is HPKYRANDNOFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17-11-5-4-6-14(17)9-12-18(13-10-16)15-7-2-3-8-15/h14-15H,2-9,11-13H2,1H3.
What are the key properties of 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile?
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetonitrile is sourced from PubChem (CID 103766604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).