4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane

C17H26N2O — CID 63154710

IUPAC4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESc1ccc(C2(CN3CCCOCC3)CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2
InChIKeyAUGHOPYJRACMMP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds3

About 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane

4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane (PubChem CID 63154710) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
PubChem CID63154710
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane
SMILESc1ccc(C2(CN3CCCOCC3)CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2
InChIKeyAUGHOPYJRACMMP-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane 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-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane (CID 63154710) is 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane is c1ccc(C2(CN3CCCOCC3)CCNCC2)cc1.
What is the InChIKey of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
The InChIKey is AUGHOPYJRACMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17(7-9-18-10-8-17)15-19-11-4-13-20-14-12-19/h1-3,5-6,18H,4,7-15H2.
What are the key properties of 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane?
4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane has a molecular weight of 274.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperidin-4-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 63154710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).