3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

C15H22ClNO — CID 90674178

IUPAC3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCc1ccc(C2CN3CCCCC3CO2)cc1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-12-5-7-13(8-6-12)15-10-16-9-3-2-4-14(16)11-17-15;/h5-8,14-15H,2-4,9-11H2,1H3;1H
InChIKeyIXJWDXCLTZDYIT-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.34
Rot. Bonds1

About 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride

3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 90674178) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID90674178
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCc1ccc(C2CN3CCCCC3CO2)cc1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-12-5-7-13(8-6-12)15-10-16-9-3-2-4-14(16)11-17-15;/h5-8,14-15H,2-4,9-11H2,1H3;1H
InChIKeyIXJWDXCLTZDYIT-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (CID 90674178) is 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is Cc1ccc(C2CN3CCCCC3CO2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is IXJWDXCLTZDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-12-5-7-13(8-6-12)15-10-16-9-3-2-4-14(16)11-17-15;/h5-8,14-15H,2-4,9-11H2,1H3;1H.
What are the key properties of 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 90674178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).