N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine

C20H32N2O — CID 83998607

IUPACN-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC3CCCCC3)C2)c1
InChIInChI=1S/C20H32N2O/c1-16-11-18(21-13-17-7-4-3-5-8-17)15-22(14-16)19-9-6-10-20(12-19)23-2/h6,9-10,12,16-18,21H,3-5,7-8,11,13-15H2,1-2H3
InChIKeyPVTNZZMUDSXSSW-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.08
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine

N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (PubChem CID 83998607) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
PubChem CID83998607
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
SMILESCOc1cccc(N2CC(C)CC(NCC3CCCCC3)C2)c1
InChIInChI=1S/C20H32N2O/c1-16-11-18(21-13-17-7-4-3-5-8-17)15-22(14-16)19-9-6-10-20(12-19)23-2/h6,9-10,12,16-18,21H,3-5,7-8,11,13-15H2,1-2H3
InChIKeyPVTNZZMUDSXSSW-UHFFFAOYSA-N
XLogP4.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83996532
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-ethyl-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83990440
N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
CID 83997890
N-(2,2-difluoroethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine
CID 83993074
N-(cyclobutylmethyl)-1-(3,4-difluorophenyl)-5-methylpiperidin-3-amine
CID 83997239
N-(cyclobutylmethyl)-5-methyl-1-(4-methylphenyl)piperidin-3-amine
CID 83997250
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine (CID 83998607) is N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is COc1cccc(N2CC(C)CC(NCC3CCCCC3)C2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
The InChIKey is PVTNZZMUDSXSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16-11-18(21-13-17-7-4-3-5-8-17)15-22(14-16)19-9-6-10-20(12-19)23-2/h6,9-10,12,16-18,21H,3-5,7-8,11,13-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine?
N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine has a molecular weight of 316.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(3-methoxyphenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83998607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).