N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine

C19H30N2 — CID 83999105

IUPACN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CCCC(NC3CCCCC3)C2)c1
InChIInChI=1S/C19H30N2/c1-16-7-5-8-17(13-16)14-21-12-6-11-19(15-21)20-18-9-3-2-4-10-18/h5,7-8,13,18-20H,2-4,6,9-12,14-15H2,1H3
InChIKeyILMGKNUKVJMDJR-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.88
Rot. Bonds4

About N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine

N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine (PubChem CID 83999105) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
PubChem CID83999105
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
SMILESCc1cccc(CN2CCCC(NC3CCCCC3)C2)c1
InChIInChI=1S/C19H30N2/c1-16-7-5-8-17(13-16)14-21-12-6-11-19(15-21)20-18-9-3-2-4-10-18/h5,7-8,13,18-20H,2-4,6,9-12,14-15H2,1H3
InChIKeyILMGKNUKVJMDJR-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119919292
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The IUPAC name of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine (CID 83999105) is N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine is Cc1cccc(CN2CCCC(NC3CCCCC3)C2)c1.
What is the InChIKey of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
The InChIKey is ILMGKNUKVJMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-7-5-8-17(13-16)14-21-12-6-11-19(15-21)20-18-9-3-2-4-10-18/h5,7-8,13,18-20H,2-4,6,9-12,14-15H2,1H3.
What are the key properties of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine?
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 83999105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).