(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

C20H26N2O2 — CID 46832946

IUPAC(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccccc1N1CCN([C@H](C)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-16(20(23)17-8-4-3-5-9-17)21-12-14-22(15-13-21)18-10-6-7-11-19(18)24-2/h3-11,16,20,23H,12-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyHCFDVAOTAQPPSV-OXQOHEQNSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds5

About (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol

(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 46832946) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID46832946
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESCOc1ccccc1N1CCN([C@H](C)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-16(20(23)17-8-4-3-5-9-17)21-12-14-22(15-13-21)18-10-6-7-11-19(18)24-2/h3-11,16,20,23H,12-15H2,1-2H3/t16-,20-/m1/s1
InChIKeyHCFDVAOTAQPPSV-OXQOHEQNSA-N
XLogP2.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-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

1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol;methane
CID 160640045
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
3-[4-(2-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60915055
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
azane;(E)-4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-oxobut-2-enoic acid
CID 173292352
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
CID 15016113

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 46832946) is (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is COc1ccccc1N1CCN([C@H](C)[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is HCFDVAOTAQPPSV-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16(20(23)17-8-4-3-5-9-17)21-12-14-22(15-13-21)18-10-6-7-11-19(18)24-2/h3-11,16,20,23H,12-15H2,1-2H3/t16-,20-/m1/s1.
What are the key properties of (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 46832946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).