1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane

C17H34N4 — CID 82565018

IUPAC1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
SMILESC1CCCN(CC2CCNCC2N2CCCNCC2)CC1
InChIInChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2
InChIKeyZDJOXPYVXZPHQL-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane

1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane (PubChem CID 82565018) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
PubChem CID82565018
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
SMILESC1CCCN(CC2CCNCC2N2CCCNCC2)CC1
InChIInChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2
InChIKeyZDJOXPYVXZPHQL-UHFFFAOYSA-N
XLogP1.14
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane 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-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The IUPAC name of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane (CID 82565018) is 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane.
What is the SMILES notation for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The canonical SMILES for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane is C1CCCN(CC2CCNCC2N2CCCNCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The InChIKey is ZDJOXPYVXZPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2.
What are the key properties of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane has a molecular weight of 294.49 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane is sourced from PubChem (CID 82565018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).