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

C25H34ClN3O — CID 45249187

IUPAC2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1CCc1ccccc1
InChIInChI=1S/C25H34ClN3O/c26-22-6-8-23(9-7-22)27-15-11-24(12-16-27)29-18-17-28(25(20-29)13-19-30)14-10-21-4-2-1-3-5-21/h1-9,24-25,30H,10-20H2
InChIKeyHKZXNGBUTFXITE-UHFFFAOYSA-N
MW428.02 g/mol
LogP3.92
Rot. Bonds7

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

2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 45249187) has the molecular formula C25H34ClN3O and a molecular weight of 428.02 g/mol. Its IUPAC name is 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID45249187
Molecular FormulaC25H34ClN3O
Molecular Weight428.02 g/mol
Exact Mass427.24
IUPAC Name2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1CCc1ccccc1
InChIInChI=1S/C25H34ClN3O/c26-22-6-8-23(9-7-22)27-15-11-24(12-16-27)29-18-17-28(25(20-29)13-19-30)14-10-21-4-2-1-3-5-21/h1-9,24-25,30H,10-20H2
InChIKeyHKZXNGBUTFXITE-UHFFFAOYSA-N
XLogP3.92
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.02
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98597593
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
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2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 29257681
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[2-[2-benzyl-4-(4-chlorophenyl)piperazin-1-yl]ethoxy]ethanol
CID 141127863
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CID 83981447
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 45249187) is 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is OCCC1CN(C2CCN(c3ccc(Cl)cc3)CC2)CCN1CCc1ccccc1.
What is the InChIKey of 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is HKZXNGBUTFXITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O/c26-22-6-8-23(9-7-22)27-15-11-24(12-16-27)29-18-17-28(25(20-29)13-19-30)14-10-21-4-2-1-3-5-21/h1-9,24-25,30H,10-20H2.
What are the key properties of 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 428.02 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45249187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).