7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride

C15H23ClN2O — CID 119931834

IUPAC7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
SMILESCc1ccc2c(c1)OCCN2CC1CCNCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-2-3-14-15(10-12)18-9-8-17(14)11-13-4-6-16-7-5-13;/h2-3,10,13,16H,4-9,11H2,1H3;1H
InChIKeyIGJBHXPJRXWHHB-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.62
Rot. Bonds2

About 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride

7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride (PubChem CID 119931834) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
PubChem CID119931834
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
SMILESCc1ccc2c(c1)OCCN2CC1CCNCC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-2-3-14-15(10-12)18-9-8-17(14)11-13-4-6-16-7-5-13;/h2-3,10,13,16H,4-9,11H2,1H3;1H
InChIKeyIGJBHXPJRXWHHB-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The IUPAC name of 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride (CID 119931834) is 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride is Cc1ccc2c(c1)OCCN2CC1CCNCC1.Cl.
What is the InChIKey of 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The InChIKey is IGJBHXPJRXWHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-2-3-14-15(10-12)18-9-8-17(14)11-13-4-6-16-7-5-13;/h2-3,10,13,16H,4-9,11H2,1H3;1H.
What are the key properties of 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 119931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).