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

C20H25ClN2O — CID 3809523

IUPAC1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c21-19-8-4-7-18(15-19)20(24)16-23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,20,24H,9-14,16H2
InChIKeyCIFASLJVXZOSQI-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.23
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (PubChem CID 3809523) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
PubChem CID3809523
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O/c21-19-8-4-7-18(15-19)20(24)16-23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,20,24H,9-14,16H2
InChIKeyCIFASLJVXZOSQI-UHFFFAOYSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 24784909
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CID 95308586
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
(1R)-1-(3-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 39389983
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 5183030
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (CID 3809523) is 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is OC(CN1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The InChIKey is CIFASLJVXZOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c21-19-8-4-7-18(15-19)20(24)16-23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,20,24H,9-14,16H2.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol has a molecular weight of 344.89 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 3809523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).