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

C20H25ClN2O — CID 174310926

IUPAC1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(C(Cc2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2O/c1-16(24)22-11-13-23(14-12-22)20(15-17-5-3-2-4-6-17)18-7-9-19(21)10-8-18/h2-10,16,20,24H,11-15H2,1H3
InChIKeyOUSCBNBYWNGTBB-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.58
Rot. Bonds5

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

1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol (PubChem CID 174310926) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
PubChem CID174310926
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(C(Cc2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2O/c1-16(24)22-11-13-23(14-12-22)20(15-17-5-3-2-4-6-17)18-7-9-19(21)10-8-18/h2-10,16,20,24H,11-15H2,1H3
InChIKeyOUSCBNBYWNGTBB-UHFFFAOYSA-N
XLogP3.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-[2-(4-chlorophenyl)-1-(4-methylphenyl)ethyl]piperazine
CID 174747780
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
CID 143935537
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
[1-(4-chlorophenyl)-3-phenyl-2-pyrrolidin-1-ylpropyl]-methylcarbamic acid
CID 57361755
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119867130
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol (CID 174310926) is 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol is CC(O)N1CCN(C(Cc2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol?
The InChIKey is OUSCBNBYWNGTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-16(24)22-11-13-23(14-12-22)20(15-17-5-3-2-4-6-17)18-7-9-19(21)10-8-18/h2-10,16,20,24H,11-15H2,1H3.
What are the key properties of 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol?
1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol has a molecular weight of 344.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-chlorophenyl)-2-phenylethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 174310926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).