2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol

C20H25ClN2O3 — CID 53180160

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-25-19-7-6-15(12-20(19)26-2)18(24)14-22-8-10-23(11-9-22)17-5-3-4-16(21)13-17/h3-7,12-13,18,24H,8-11,14H2,1-2H3
InChIKeyRWHDPWHPPMIWFV-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.21
Rot. Bonds6

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 53180160) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID53180160
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-25-19-7-6-15(12-20(19)26-2)18(24)14-22-8-10-23(11-9-22)17-5-3-4-16(21)13-17/h3-7,12-13,18,24H,8-11,14H2,1-2H3
InChIKeyRWHDPWHPPMIWFV-UHFFFAOYSA-N
XLogP3.21
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 95104734
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
2-[4-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 13298564
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol
CID 7110245
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 58899964
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol (CID 53180160) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is RWHDPWHPPMIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-25-19-7-6-15(12-20(19)26-2)18(24)14-22-8-10-23(11-9-22)17-5-3-4-16(21)13-17/h3-7,12-13,18,24H,8-11,14H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 376.88 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 53180160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).