2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride

C9H16Cl4N2O3 — CID 70625672

IUPAC2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC(Cl)(Cl)Cl)N1CCN(CCO)CC1
InChIInChI=1S/C9H15Cl3N2O3.ClH/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15;/h15H,1-7H2;1H
InChIKeyLLLSEGHUUQMGCX-UHFFFAOYSA-N
MW342.05 g/mol
LogP1.52
Rot. Bonds3

About 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride

2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 70625672) has the molecular formula C9H16Cl4N2O3 and a molecular weight of 342.05 g/mol. Its IUPAC name is 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
PubChem CID70625672
Molecular FormulaC9H16Cl4N2O3
Molecular Weight342.05 g/mol
Exact Mass339.99
IUPAC Name2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC(Cl)(Cl)Cl)N1CCN(CCO)CC1
InChIInChI=1S/C9H15Cl3N2O3.ClH/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15;/h15H,1-7H2;1H
InChIKeyLLLSEGHUUQMGCX-UHFFFAOYSA-N
XLogP1.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.05
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
CID 79810112
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride (CID 70625672) is 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride is Cl.O=C(OCC(Cl)(Cl)Cl)N1CCN(CCO)CC1.
What is the InChIKey of 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is LLLSEGHUUQMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl3N2O3.ClH/c10-9(11,12)7-17-8(16)14-3-1-13(2-4-14)5-6-15;/h15H,1-7H2;1H.
What are the key properties of 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride?
2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 342.05 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 70625672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).