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

C14H21ClN2O — CID 82214228

IUPAC2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(Cl)c2ccccc2)CC1
InChIInChI=1S/C14H21ClN2O/c15-14(13-4-2-1-3-5-13)12-17-8-6-16(7-9-17)10-11-18/h1-5,14,18H,6-12H2
InChIKeyZPYQMGXOZZRJEX-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.58
Rot. Bonds5

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

2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol (PubChem CID 82214228) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
PubChem CID82214228
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(Cl)c2ccccc2)CC1
InChIInChI=1S/C14H21ClN2O/c15-14(13-4-2-1-3-5-13)12-17-8-6-16(7-9-17)10-11-18/h1-5,14,18H,6-12H2
InChIKeyZPYQMGXOZZRJEX-UHFFFAOYSA-N
XLogP1.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
2-[4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanol
CID 82214318
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
2-(2-chloro-2-phenylethyl)-3,4-dihydro-1H-isoquinoline
CID 82214226
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63194001
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol (CID 82214228) is 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol?
The InChIKey is ZPYQMGXOZZRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-14(13-4-2-1-3-5-13)12-17-8-6-16(7-9-17)10-11-18/h1-5,14,18H,6-12H2.
What are the key properties of 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol?
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol has a molecular weight of 268.79 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 82214228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).