(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone

C14H22N2O — CID 67612162

IUPAC(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone
SMILESCC1=CC=CC(C)(C(=O)C2CCCCN2)C1N
InChIInChI=1S/C14H22N2O/c1-10-6-5-8-14(2,12(10)15)13(17)11-7-3-4-9-16-11/h5-6,8,11-12,16H,3-4,7,9,15H2,1-2H3
InChIKeyCJBZHZNSOJNMER-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.55
Rot. Bonds2

About (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone

(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone (PubChem CID 67612162) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone
PubChem CID67612162
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone
SMILESCC1=CC=CC(C)(C(=O)C2CCCCN2)C1N
InChIInChI=1S/C14H22N2O/c1-10-6-5-8-14(2,12(10)15)13(17)11-7-3-4-9-16-11/h5-6,8,11-12,16H,3-4,7,9,15H2,1-2H3
InChIKeyCJBZHZNSOJNMER-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone 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 (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone (CID 67612162) is (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone is CC1=CC=CC(C)(C(=O)C2CCCCN2)C1N.
What is the InChIKey of (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone?
The InChIKey is CJBZHZNSOJNMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-5-8-14(2,12(10)15)13(17)11-7-3-4-9-16-11/h5-6,8,11-12,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone?
(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone has a molecular weight of 234.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 67612162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).