4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

C18H28N2O — CID 63193214

IUPAC4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCCCC1(CN2CCOc3ccccc3C2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-7-18(8-10-19-11-9-18)15-20-12-13-21-17-6-4-3-5-16(17)14-20/h3-6,19H,2,7-15H2,1H3
InChIKeyGUZJYENUHHIXBZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.05
Rot. Bonds4

About 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 63193214) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID63193214
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCCCC1(CN2CCOc3ccccc3C2)CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-7-18(8-10-19-11-9-18)15-20-12-13-21-17-6-4-3-5-16(17)14-20/h3-6,19H,2,7-15H2,1H3
InChIKeyGUZJYENUHHIXBZ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (CID 63193214) is 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is CCCC1(CN2CCOc3ccccc3C2)CCNCC1.
What is the InChIKey of 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is GUZJYENUHHIXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-7-18(8-10-19-11-9-18)15-20-12-13-21-17-6-4-3-5-16(17)14-20/h3-6,19H,2,7-15H2,1H3.
What are the key properties of 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 288.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 63193214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).