7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

C15H22N2O — CID 86820605

IUPAC7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESc1cc2c(cc1CN1CCCCC1)CNCCO2
InChIInChI=1S/C15H22N2O/c1-2-7-17(8-3-1)12-13-4-5-15-14(10-13)11-16-6-9-18-15/h4-5,10,16H,1-3,6-9,11-12H2
InChIKeyALDQIUJHEQDBFD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.15
Rot. Bonds2

About 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 86820605) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID86820605
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESc1cc2c(cc1CN1CCCCC1)CNCCO2
InChIInChI=1S/C15H22N2O/c1-2-7-17(8-3-1)12-13-4-5-15-14(10-13)11-16-6-9-18-15/h4-5,10,16H,1-3,6-9,11-12H2
InChIKeyALDQIUJHEQDBFD-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 86820605) is 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine is c1cc2c(cc1CN1CCCCC1)CNCCO2.
What is the InChIKey of 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is ALDQIUJHEQDBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-7-17(8-3-1)12-13-4-5-15-14(10-13)11-16-6-9-18-15/h4-5,10,16H,1-3,6-9,11-12H2.
What are the key properties of 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine?
7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 246.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-1-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 86820605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).