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

C14H20ClNO — CID 3044778

IUPAC3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.c1ccc(C2CN3CCCCC3CO2)cc1
InChIInChI=1S/C14H19NO.ClH/c1-2-6-12(7-3-1)14-10-15-9-5-4-8-13(15)11-16-14;/h1-3,6-7,13-14H,4-5,8-11H2;1H
InChIKeyJNNHKVQAGPQSDW-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.03
Rot. Bonds1

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

3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 3044778) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
PubChem CID3044778
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride
SMILESCl.c1ccc(C2CN3CCCCC3CO2)cc1
InChIInChI=1S/C14H19NO.ClH/c1-2-6-12(7-3-1)14-10-15-9-5-4-8-13(15)11-16-14;/h1-3,6-7,13-14H,4-5,8-11H2;1H
InChIKeyJNNHKVQAGPQSDW-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride (CID 3044778) is 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is Cl.c1ccc(C2CN3CCCCC3CO2)cc1.
What is the InChIKey of 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is JNNHKVQAGPQSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-2-6-12(7-3-1)14-10-15-9-5-4-8-13(15)11-16-14;/h1-3,6-7,13-14H,4-5,8-11H2;1H.
What are the key properties of 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride?
3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 3044778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).