N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine

C18H28N2 — CID 83998581

IUPACN-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
SMILESc1ccc(N2CCCC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-3-8-16(9-4-1)14-19-17-10-7-13-20(15-17)18-11-5-2-6-12-18/h2,5-6,11-12,16-17,19H,1,3-4,7-10,13-15H2
InChIKeyYWIOEIWKNSIUPF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.83
Rot. Bonds4

About N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine

N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine (PubChem CID 83998581) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
PubChem CID83998581
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
SMILESc1ccc(N2CCCC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-3-8-16(9-4-1)14-19-17-10-7-13-20(15-17)18-11-5-2-6-12-18/h2,5-6,11-12,16-17,19H,1,3-4,7-10,13-15H2
InChIKeyYWIOEIWKNSIUPF-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
CID 83996571
N-(cyclohexylmethyl)-1-(2,3-difluorophenyl)piperidin-3-amine
CID 83998643
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-(cyclohexylmethyl)-1-cyclopropylpiperidin-3-amine
CID 83998678
ethane;1-phenyl-3-propylpiperidine
CID 123157098
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine (CID 83998581) is N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine is c1ccc(N2CCCC(NCC3CCCCC3)C2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine?
The InChIKey is YWIOEIWKNSIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-8-16(9-4-1)14-19-17-10-7-13-20(15-17)18-11-5-2-6-12-18/h2,5-6,11-12,16-17,19H,1,3-4,7-10,13-15H2.
What are the key properties of N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine?
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine is sourced from PubChem (CID 83998581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).