(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol

C14H18F2N2O — CID 163206808

IUPAC(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol
SMILESO[C@]1(c2ccc(F)c(F)c2)CC[C@@H]2CNCCN2C1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-10(7-13(12)16)14(19)4-3-11-8-17-5-6-18(11)9-14/h1-2,7,11,17,19H,3-6,8-9H2/t11-,14-/m1/s1
InChIKeyNSRDWHQMWKGLRP-BXUZGUMPSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds1

About (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol

(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol (PubChem CID 163206808) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol
PubChem CID163206808
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol
SMILESO[C@]1(c2ccc(F)c(F)c2)CC[C@@H]2CNCCN2C1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-10(7-13(12)16)14(19)4-3-11-8-17-5-6-18(11)9-14/h1-2,7,11,17,19H,3-6,8-9H2/t11-,14-/m1/s1
InChIKeyNSRDWHQMWKGLRP-BXUZGUMPSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol 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 (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol?
The IUPAC name of (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol (CID 163206808) is (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol?
The canonical SMILES for (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol is O[C@]1(c2ccc(F)c(F)c2)CC[C@@H]2CNCCN2C1.
What is the InChIKey of (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol?
The InChIKey is NSRDWHQMWKGLRP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-2-1-10(7-13(12)16)14(19)4-3-11-8-17-5-6-18(11)9-14/h1-2,7,11,17,19H,3-6,8-9H2/t11-,14-/m1/s1.
What are the key properties of (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol?
(7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol has a molecular weight of 268.31 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7-(3,4-difluorophenyl)-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 163206808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).