1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine

C13H22N2 — CID 139516171

IUPAC1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(NC2CCN(C)CC2)C=C1
InChIInChI=1S/C13H22N2/c1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13/h3-5,12-14H,6-10H2,1-2H3
InChIKeyCMMOUSSWKBZFPI-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.95
Rot. Bonds2

About 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine

1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine (PubChem CID 139516171) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
PubChem CID139516171
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(NC2CCN(C)CC2)C=C1
InChIInChI=1S/C13H22N2/c1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13/h3-5,12-14H,6-10H2,1-2H3
InChIKeyCMMOUSSWKBZFPI-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine (CID 139516171) is 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine is CC1=CCC(NC2CCN(C)CC2)C=C1.
What is the InChIKey of 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The InChIKey is CMMOUSSWKBZFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-3-5-12(6-4-11)14-13-7-9-15(2)10-8-13/h3-5,12-14H,6-10H2,1-2H3.
What are the key properties of 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 139516171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).