4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine

C14H29N3 — CID 82564778

IUPAC4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CNCCC1CN1CCCCCC1
InChIInChI=1S/C14H29N3/c1-16(2)14-11-15-8-7-13(14)12-17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3
InChIKeyKMPZGLULGWRWFB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine

4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine (PubChem CID 82564778) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine
PubChem CID82564778
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CNCCC1CN1CCCCCC1
InChIInChI=1S/C14H29N3/c1-16(2)14-11-15-8-7-13(14)12-17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3
InChIKeyKMPZGLULGWRWFB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-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 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine (CID 82564778) is 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CNCCC1CN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is KMPZGLULGWRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)14-11-15-8-7-13(14)12-17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine?
4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 82564778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).