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

C14H21ClN2O — CID 79658825

IUPAC2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16-7-8-17(2)13(10-16)14(18)9-11-3-5-12(15)6-4-11/h3-6,13-14,18H,7-10H2,1-2H3
InChIKeySAHDGEMIWMEVQQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.49
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 79658825) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID79658825
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(C(O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16-7-8-17(2)13(10-16)14(18)9-11-3-5-12(15)6-4-11/h3-6,13-14,18H,7-10H2,1-2H3
InChIKeySAHDGEMIWMEVQQ-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

2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
1-(1,4-dimethylpiperazin-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 79663724
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
CID 79659396
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79658672
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 79659327
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol
CID 79659648
2-(4-chlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (CID 79658825) is 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is CN1CCN(C)C(C(O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is SAHDGEMIWMEVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-7-8-17(2)13(10-16)14(18)9-11-3-5-12(15)6-4-11/h3-6,13-14,18H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
2-(4-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-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 79658825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).