3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol

C19H23ClN2O — CID 10592579

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKeyDMLVDDOTMAJLAG-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.59
Rot. Bonds5

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol (PubChem CID 10592579) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
PubChem CID10592579
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol
SMILESOC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKeyDMLVDDOTMAJLAG-UHFFFAOYSA-N
XLogP3.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-(3-Chlorophenyl)piperazin-1-yl)-1,1-diphenyl-2-propanol
CID 3654103
1-Piperazineethanol, 4-(3-chlorophenyl)-alpha-(diphenylmethyl)-, hydrochloride (1:2)
CID 11957475
1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
[3-[4-(4-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281893
1-(4-Bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethanol
CID 76286348
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
2-[4-(3-Chlorophenyl)piperazino]-1-phenyl-1-ethanol
CID 2766984
10-Hydroxyclomipramine
CID 154699866
3-[4-(3-Chloro-4-hydroxymethyl-phenyl)-piperazin-1-yl]-1-(4-chloro-phenyl)-propan-1-ol
CID 9865446
3-(4-(4-Chlorophenyl)piperazin-1-yl)-1-(naphthalen-2-yl)propan-1-ol
CID 10738599
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
3-(4-(2-Chlorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10830318

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol (CID 10592579) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol is OC(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is DMLVDDOTMAJLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c20-17-6-8-18(9-7-17)22-14-12-21(13-15-22)11-10-19(23)16-4-2-1-3-5-16/h1-9,19,23H,10-15H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 330.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 10592579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).