1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine

C18H28N2 — CID 117434122

IUPAC1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
SMILESCN1CCC(c2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C18H28N2/c1-20-13-9-15(10-14-20)16-7-3-4-8-17(16)18(19)11-5-2-6-12-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3
InChIKeyMMMFNWKCQWFENY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.61
Rot. Bonds2

About 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine

1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine (PubChem CID 117434122) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
PubChem CID117434122
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine
SMILESCN1CCC(c2ccccc2C2(N)CCCCC2)CC1
InChIInChI=1S/C18H28N2/c1-20-13-9-15(10-14-20)16-7-3-4-8-17(16)18(19)11-5-2-6-12-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3
InChIKeyMMMFNWKCQWFENY-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
4-[2-(1-isocyanatocyclopentyl)phenyl]-1-methylpiperidine
CID 117458036
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
1-[2-(thietan-3-yl)phenyl]cyclopropan-1-amine
CID 84778775
2-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-amine
CID 117337036
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine (CID 117434122) is 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine is CN1CCC(c2ccccc2C2(N)CCCCC2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine?
The InChIKey is MMMFNWKCQWFENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20-13-9-15(10-14-20)16-7-3-4-8-17(16)18(19)11-5-2-6-12-18/h3-4,7-8,15H,2,5-6,9-14,19H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine?
1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117434122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).