1-ethyl-2-piperidin-4-ylazepane

C13H26N2 — CID 64852207

IUPAC1-ethyl-2-piperidin-4-ylazepane
SMILESCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C13H26N2/c1-2-15-11-5-3-4-6-13(15)12-7-9-14-10-8-12/h12-14H,2-11H2,1H3
InChIKeyQJZDXVVMSOKHAZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds2

About 1-ethyl-2-piperidin-4-ylazepane

1-ethyl-2-piperidin-4-ylazepane (PubChem CID 64852207) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-ethyl-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name1-ethyl-2-piperidin-4-ylazepane
PubChem CID64852207
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-ethyl-2-piperidin-4-ylazepane
SMILESCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C13H26N2/c1-2-15-11-5-3-4-6-13(15)12-7-9-14-10-8-12/h12-14H,2-11H2,1H3
InChIKeyQJZDXVVMSOKHAZ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-2-piperidin-4-ylazepane 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-ethyl-2-piperidin-4-ylazepane?
The IUPAC name of 1-ethyl-2-piperidin-4-ylazepane (CID 64852207) is 1-ethyl-2-piperidin-4-ylazepane.
What is the SMILES notation for 1-ethyl-2-piperidin-4-ylazepane?
The canonical SMILES for 1-ethyl-2-piperidin-4-ylazepane is CCN1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-ethyl-2-piperidin-4-ylazepane?
The InChIKey is QJZDXVVMSOKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-15-11-5-3-4-6-13(15)12-7-9-14-10-8-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-ethyl-2-piperidin-4-ylazepane?
1-ethyl-2-piperidin-4-ylazepane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-piperidin-4-ylazepane is sourced from PubChem (CID 64852207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).