N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine

C18H29N3 — CID 83009042

IUPACN-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-20-12-14-21(15-13-20)19-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3
InChIKeyUHUNJVSYMYDMPY-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.06
Rot. Bonds4

About N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine

N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83009042) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine
PubChem CID83009042
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-20-12-14-21(15-13-20)19-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3
InChIKeyUHUNJVSYMYDMPY-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)benzimidazole
CID 134605369
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959379
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine (CID 83009042) is N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NC(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is UHUNJVSYMYDMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-12-14-21(15-13-20)19-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine?
N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).