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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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
1-(2-Butoxyphenyl)piperazine
CID 14479837
Dabelotine
CID 177949
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446
N-(2-Methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741860
7-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9836900
7-(4-p-Tolyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9902382
7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 9946469
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962

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).