4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine

C18H29N3 — CID 104973837

IUPAC4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18/h2-6,15-17H,7-14,19H2,1H3
InChIKeyZREKJVZNUPRWNI-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds3

About 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 104973837) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
PubChem CID104973837
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18/h2-6,15-17H,7-14,19H2,1H3
InChIKeyZREKJVZNUPRWNI-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-cyclopropyl-N-methyl-N-(1-phenylpiperidin-4-yl)ethane-1,2-diamine
CID 106820716
ethane;4-methyl-1-phenylpiperidine
CID 143180672
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
4-tert-butyl-1-phenylpiperidine
CID 612454
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
CID 106821073
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine (CID 104973837) is 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is ZREKJVZNUPRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18/h2-6,15-17H,7-14,19H2,1H3.
What are the key properties of 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 104973837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).