4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

C14H20N2O — CID 55159660

IUPAC4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2
InChIKeyMAEFNDKSFLCCQM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.63
Rot. Bonds1

About 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine

4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 55159660) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID55159660
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
SMILESc1ccc2c(c1)CN(C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2
InChIKeyMAEFNDKSFLCCQM-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine (CID 55159660) is 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is c1ccc2c(c1)CN(C1CCNCC1)CCO2.
What is the InChIKey of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is MAEFNDKSFLCCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-4-14-12(3-1)11-16(9-10-17-14)13-5-7-15-8-6-13/h1-4,13,15H,5-11H2.
What are the key properties of 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine?
4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 232.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 55159660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).