2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile

C14H24N2 — CID 106663991

IUPAC2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
SMILESCC1CC(C)(C)CC1(C#N)N1CCCCC1
InChIInChI=1S/C14H24N2/c1-12-9-13(2,3)10-14(12,11-15)16-7-5-4-6-8-16/h12H,4-10H2,1-3H3
InChIKeyXXSKDNPXKLQYFG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds1

About 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile

2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile (PubChem CID 106663991) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
PubChem CID106663991
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile
SMILESCC1CC(C)(C)CC1(C#N)N1CCCCC1
InChIInChI=1S/C14H24N2/c1-12-9-13(2,3)10-14(12,11-15)16-7-5-4-6-8-16/h12H,4-10H2,1-3H3
InChIKeyXXSKDNPXKLQYFG-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3,3,5,5-pentamethylcyclohexyl)piperidine
CID 10037182
2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 65420090
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
2,4,4-trimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 81314459
1-[(1R,5R)-5-ethyl-1,3,3-trimethylcyclohexyl]pyrrolidine
CID 66759552
1-(1,4-diazepan-1-yl)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755953
1-(1,4-diazepan-1-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54889312
3-(azepan-1-yl)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
CID 113491787
3-(1,4-diazepan-1-yl)-2-methylthiane-3-carbonitrile
CID 79951034
1-(1-hydroxy-2,4,4-trimethylcyclopentyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 106664431
1-(1-hydroxy-2,4,4-trimethylcyclopentyl)-3-methylcyclohexane-1-carbonitrile
CID 106664439
1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride
CID 22630128

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile (CID 106663991) is 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile is CC1CC(C)(C)CC1(C#N)N1CCCCC1.
What is the InChIKey of 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is XXSKDNPXKLQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-9-13(2,3)10-14(12,11-15)16-7-5-4-6-8-16/h12H,4-10H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile?
2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-piperidin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 106663991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).