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

C14H19BrClNO2 — CID 90674189

IUPAC3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CN2CCCCC2CO1
InChIInChI=1S/C14H18BrNO2.ClH/c15-12-6-4-11(5-7-12)14(17)10-16-8-2-1-3-13(16)9-18-14;/h4-7,13,17H,1-3,8-10H2;1H
InChIKeyXCUOGYDFZXLNPF-UHFFFAOYSA-N
MW348.67 g/mol
LogP2.90
Rot. Bonds1

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

3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (PubChem CID 90674189) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
PubChem CID90674189
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CN2CCCCC2CO1
InChIInChI=1S/C14H18BrNO2.ClH/c15-12-6-4-11(5-7-12)14(17)10-16-8-2-1-3-13(16)9-18-14;/h4-7,13,17H,1-3,8-10H2;1H
InChIKeyXCUOGYDFZXLNPF-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride (CID 90674189) is 3-(4-bromophenyl)-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-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is Cl.OC1(c2ccc(Br)cc2)CN2CCCCC2CO1.
What is the InChIKey of 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
The InChIKey is XCUOGYDFZXLNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2.ClH/c15-12-6-4-11(5-7-12)14(17)10-16-8-2-1-3-13(16)9-18-14;/h4-7,13,17H,1-3,8-10H2;1H.
What are the key properties of 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride?
3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride has a molecular weight of 348.67 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol;hydrochloride is sourced from PubChem (CID 90674189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).