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

C14H20ClNO2 — CID 3044780

IUPAC3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CN2CCCCC2CO1
InChIInChI=1S/C14H19NO2.ClH/c16-14(12-6-2-1-3-7-12)11-15-9-5-4-8-13(15)10-17-14;/h1-3,6-7,13,16H,4-5,8-11H2;1H
InChIKeyRMYHMRZUDAQNFI-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.14
Rot. Bonds1

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

3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (PubChem CID 3044780) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
PubChem CID3044780
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccccc2)CN2CCCCC2CO1
InChIInChI=1S/C14H19NO2.ClH/c16-14(12-6-2-1-3-7-12)11-15-9-5-4-8-13(15)10-17-14;/h1-3,6-7,13,16H,4-5,8-11H2;1H
InChIKeyRMYHMRZUDAQNFI-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The IUPAC name of 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (CID 3044780) is 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride.
What is the SMILES notation for 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The canonical SMILES for 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is Cl.OC1(c2ccccc2)CN2CCCCC2CO1.
What is the InChIKey of 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The InChIKey is RMYHMRZUDAQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c16-14(12-6-2-1-3-7-12)11-15-9-5-4-8-13(15)10-17-14;/h1-3,6-7,13,16H,4-5,8-11H2;1H.
What are the key properties of 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is sourced from PubChem (CID 3044780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).