6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride

C15H23ClN2O2 — CID 119931762

IUPAC6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
SMILESCOc1ccc2c(c1)N(CC1CCNCC1)CCO2.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-18-13-2-3-15-14(10-13)17(8-9-19-15)11-12-4-6-16-7-5-12;/h2-3,10,12,16H,4-9,11H2,1H3;1H
InChIKeyVDHHJNKWTXICFA-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.32
Rot. Bonds3

About 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride

6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride (PubChem CID 119931762) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
PubChem CID119931762
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
SMILESCOc1ccc2c(c1)N(CC1CCNCC1)CCO2.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-18-13-2-3-15-14(10-13)17(8-9-19-15)11-12-4-6-16-7-5-12;/h2-3,10,12,16H,4-9,11H2,1H3;1H
InChIKeyVDHHJNKWTXICFA-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The IUPAC name of 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride (CID 119931762) is 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride.
What is the SMILES notation for 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The canonical SMILES for 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride is COc1ccc2c(c1)N(CC1CCNCC1)CCO2.Cl.
What is the InChIKey of 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
The InChIKey is VDHHJNKWTXICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-18-13-2-3-15-14(10-13)17(8-9-19-15)11-12-4-6-16-7-5-12;/h2-3,10,12,16H,4-9,11H2,1H3;1H.
What are the key properties of 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride?
6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride is sourced from PubChem (CID 119931762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).