2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

C14H21ClN2O — CID 79658979

IUPAC2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-16-6-7-17(2)13(10-16)14(18)9-11-4-3-5-12(15)8-11/h3-5,8,13-14,18H,6-7,9-10H2,1-2H3
InChIKeyFLPJWHWYMDLUBD-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.49
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 79658979) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID79658979
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-16-6-7-17(2)13(10-16)14(18)9-11-4-3-5-12(15)8-11/h3-5,8,13-14,18H,6-7,9-10H2,1-2H3
InChIKeyFLPJWHWYMDLUBD-UHFFFAOYSA-N
XLogP1.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 79663724
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666850
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114726954

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (CID 79658979) is 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is CN1CCN(C)C(C(O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is FLPJWHWYMDLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-6-7-17(2)13(10-16)14(18)9-11-4-3-5-12(15)8-11/h3-5,8,13-14,18H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 268.79 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 79658979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).