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

C21H26ClNO2 — CID 3079957

IUPAC3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.c1ccc(COC2(c3ccccc3)CN3CCCCC3CO2)cc1
InChIInChI=1S/C21H25NO2.ClH/c1-3-9-18(10-4-1)15-23-21(19-11-5-2-6-12-19)17-22-14-8-7-13-20(22)16-24-21;/h1-6,9-12,20H,7-8,13-17H2;1H
InChIKeyFGPVJXYMXWYANF-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.36
Rot. Bonds4

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

3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 3079957) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID3079957
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.c1ccc(COC2(c3ccccc3)CN3CCCCC3CO2)cc1
InChIInChI=1S/C21H25NO2.ClH/c1-3-9-18(10-4-1)15-23-21(19-11-5-2-6-12-19)17-22-14-8-7-13-20(22)16-24-21;/h1-6,9-12,20H,7-8,13-17H2;1H
InChIKeyFGPVJXYMXWYANF-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride (CID 3079957) is 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is Cl.c1ccc(COC2(c3ccccc3)CN3CCCCC3CO2)cc1.
What is the InChIKey of 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is FGPVJXYMXWYANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.ClH/c1-3-9-18(10-4-1)15-23-21(19-11-5-2-6-12-19)17-22-14-8-7-13-20(22)16-24-21;/h1-6,9-12,20H,7-8,13-17H2;1H.
What are the key properties of 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride?
3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-phenylmethoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 3079957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).