5-methyl-2-piperidin-1-yl-4H-azepine

C12H18N2 — CID 163366778

IUPAC5-methyl-2-piperidin-1-yl-4H-azepine
SMILESCC1=CC=NC(N2CCCCC2)=CC1
InChIInChI=1S/C12H18N2/c1-11-5-6-12(13-8-7-11)14-9-3-2-4-10-14/h6-8H,2-5,9-10H2,1H3
InChIKeyCRRWVIVKQNIGGW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.73
Rot. Bonds1

About 5-methyl-2-piperidin-1-yl-4H-azepine

5-methyl-2-piperidin-1-yl-4H-azepine (PubChem CID 163366778) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-yl-4H-azepine.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-yl-4H-azepine
PubChem CID163366778
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-2-piperidin-1-yl-4H-azepine
SMILESCC1=CC=NC(N2CCCCC2)=CC1
InChIInChI=1S/C12H18N2/c1-11-5-6-12(13-8-7-11)14-9-3-2-4-10-14/h6-8H,2-5,9-10H2,1H3
InChIKeyCRRWVIVKQNIGGW-UHFFFAOYSA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-piperidin-1-yl-4H-azepine 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 5-methyl-2-piperidin-1-yl-4H-azepine?
The IUPAC name of 5-methyl-2-piperidin-1-yl-4H-azepine (CID 163366778) is 5-methyl-2-piperidin-1-yl-4H-azepine.
What is the SMILES notation for 5-methyl-2-piperidin-1-yl-4H-azepine?
The canonical SMILES for 5-methyl-2-piperidin-1-yl-4H-azepine is CC1=CC=NC(N2CCCCC2)=CC1.
What is the InChIKey of 5-methyl-2-piperidin-1-yl-4H-azepine?
The InChIKey is CRRWVIVKQNIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-5-6-12(13-8-7-11)14-9-3-2-4-10-14/h6-8H,2-5,9-10H2,1H3.
What are the key properties of 5-methyl-2-piperidin-1-yl-4H-azepine?
5-methyl-2-piperidin-1-yl-4H-azepine has a molecular weight of 190.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-yl-4H-azepine is sourced from PubChem (CID 163366778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).