1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile

C13H22N2 — CID 117019343

IUPAC1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)C(C#N)CCCN1C1CCCC1
InChIInChI=1S/C13H22N2/c1-13(2)11(10-14)6-5-9-15(13)12-7-3-4-8-12/h11-12H,3-9H2,1-2H3
InChIKeyGREBDBYDFQPHHH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds1

About 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile

1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile (PubChem CID 117019343) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile
PubChem CID117019343
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile
SMILESCC1(C)C(C#N)CCCN1C1CCCC1
InChIInChI=1S/C13H22N2/c1-13(2)11(10-14)6-5-9-15(13)12-7-3-4-8-12/h11-12H,3-9H2,1-2H3
InChIKeyGREBDBYDFQPHHH-UHFFFAOYSA-N
XLogP2.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2,2-dimethylpiperidine-3-carbonitrile
CID 117019338
1,2,2-trimethylpiperidine-3-carbonitrile
CID 117019334
1-cyclopentyl-N,2,2-trimethylpiperidin-3-amine
CID 117019268
2,2-dimethyl-1-(4-methylphenyl)piperidine-3-carbonitrile
CID 117019367
1-cyclopentyl-2,2-dimethyl-5-oxopyrrolidine-3-carbonitrile
CID 117023149
1-cycloheptyl-2,2-dimethylpyrrolidin-3-ol
CID 117016811
3-chloro-1-cyclohexyl-2,2-dimethylpyrrolidine
CID 131115710
1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
2-(1-cyclopropyl-2,2-dimethylpiperidin-3-yl)ethanamine
CID 117019627
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
CID 116841940
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile (CID 117019343) is 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile is CC1(C)C(C#N)CCCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile?
The InChIKey is GREBDBYDFQPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2)11(10-14)6-5-9-15(13)12-7-3-4-8-12/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile?
1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2-dimethylpiperidine-3-carbonitrile is sourced from PubChem (CID 117019343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).