3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride

C18H28ClNO2 — CID 3079955

IUPAC3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCC(C)COC1(c2ccccc2)CN2CCCCC2CO1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-15(2)12-20-18(16-8-4-3-5-9-16)14-19-11-7-6-10-17(19)13-21-18;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H
InChIKeyNZSMIFANWBIMSG-UHFFFAOYSA-N
MW325.88 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride

3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 3079955) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID3079955
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCC(C)COC1(c2ccccc2)CN2CCCCC2CO1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-15(2)12-20-18(16-8-4-3-5-9-16)14-19-11-7-6-10-17(19)13-21-18;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H
InChIKeyNZSMIFANWBIMSG-UHFFFAOYSA-N
XLogP3.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (CID 3079955) is 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is CC(C)COC1(c2ccccc2)CN2CCCCC2CO1.Cl.
What is the InChIKey of 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is NZSMIFANWBIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-15(2)12-20-18(16-8-4-3-5-9-16)14-19-11-7-6-10-17(19)13-21-18;/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3;1H.
What are the key properties of 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 3079955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).