1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone

C14H19ClN2O2 — CID 56686977

IUPAC1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-4-2-3-5-13(12)15/h2-5,14,19H,6-10H2,1H3
InChIKeyLBJFADQILFLTAT-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.54
Rot. Bonds3

About 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone

1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone (PubChem CID 56686977) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
PubChem CID56686977
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-4-2-3-5-13(12)15/h2-5,14,19H,6-10H2,1H3
InChIKeyLBJFADQILFLTAT-UHFFFAOYSA-N
XLogP1.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
1-[4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]ethanone
CID 62266489
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
2-[4-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 51728070
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 82216623
3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
CID 111750511
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 111858425
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone (CID 56686977) is 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone?
The InChIKey is LBJFADQILFLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11(18)17-8-6-16(7-9-17)10-14(19)12-4-2-3-5-13(12)15/h2-5,14,19H,6-10H2,1H3.
What are the key properties of 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56686977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).