2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile

C14H25N3 — CID 114503438

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CN(C)CCC1NC1CCCCC1C#N
InChIInChI=1S/C14H25N3/c1-11-10-17(2)8-7-13(11)16-14-6-4-3-5-12(14)9-15/h11-14,16H,3-8,10H2,1-2H3
InChIKeyKWWPTXBQNFRNRQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.00
Rot. Bonds2

About 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile

2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 114503438) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
PubChem CID114503438
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCC1CN(C)CCC1NC1CCCCC1C#N
InChIInChI=1S/C14H25N3/c1-11-10-17(2)8-7-13(11)16-14-6-4-3-5-12(14)9-15/h11-14,16H,3-8,10H2,1-2H3
InChIKeyKWWPTXBQNFRNRQ-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
N-(2-tert-butylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115708700
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891311
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115709714
2-[(4-methylpiperazin-1-yl)amino]cyclohexane-1-carbonitrile
CID 83021022
N-(1,3-dimethylpiperidin-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 113261212
1,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)piperidin-4-amine
CID 114503181
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentane-1-carbonitrile
CID 62741172
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidin-4-amine
CID 115714383
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile (CID 114503438) is 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile is CC1CN(C)CCC1NC1CCCCC1C#N.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is KWWPTXBQNFRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-10-17(2)8-7-13(11)16-14-6-4-3-5-12(14)9-15/h11-14,16H,3-8,10H2,1-2H3.
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile?
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 114503438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).