1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane

C17H32N2O — CID 64852197

IUPAC1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
SMILESC1CCC(C2CCNCC2)N(CC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O/c1-2-4-17(16-5-9-18-10-6-16)19(11-3-1)14-15-7-12-20-13-8-15/h15-18H,1-14H2
InChIKeySVMNXGKKCCIDKG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane

1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane (PubChem CID 64852197) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
PubChem CID64852197
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
SMILESC1CCC(C2CCNCC2)N(CC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O/c1-2-4-17(16-5-9-18-10-6-16)19(11-3-1)14-15-7-12-20-13-8-15/h15-18H,1-14H2
InChIKeySVMNXGKKCCIDKG-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-ylmethyl)-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-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane (CID 64852197) is 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane is C1CCC(C2CCNCC2)N(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane?
The InChIKey is SVMNXGKKCCIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-4-17(16-5-9-18-10-6-16)19(11-3-1)14-15-7-12-20-13-8-15/h15-18H,1-14H2.
What are the key properties of 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane?
1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane has a molecular weight of 280.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane is sourced from PubChem (CID 64852197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).