(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

C15H24N2O3 — CID 171189484

IUPAC(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cccc(OC)c1[C@H](CCO)N1CCNCC1
InChIInChI=1S/C15H24N2O3/c1-19-13-4-3-5-14(20-2)15(13)12(6-11-18)17-9-7-16-8-10-17/h3-5,12,16,18H,6-11H2,1-2H3/t12-/m0/s1
InChIKeyHXNHQOHTSMOYBK-LBPRGKRZSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds6

About (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol

(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 171189484) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID171189484
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cccc(OC)c1[C@H](CCO)N1CCNCC1
InChIInChI=1S/C15H24N2O3/c1-19-13-4-3-5-14(20-2)15(13)12(6-11-18)17-9-7-16-8-10-17/h3-5,12,16,18H,6-11H2,1-2H3/t12-/m0/s1
InChIKeyHXNHQOHTSMOYBK-LBPRGKRZSA-N
XLogP1.03
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
1-[(1S)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302479
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
3-methoxy-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171167936
1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287474
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305894
1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171168839
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol (CID 171189484) is (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is COc1cccc(OC)c1[C@H](CCO)N1CCNCC1.
What is the InChIKey of (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is HXNHQOHTSMOYBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-13-4-3-5-14(20-2)15(13)12(6-11-18)17-9-7-16-8-10-17/h3-5,12,16,18H,6-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol?
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 171189484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).