(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride

C13H18ClFN2O2 — CID 3044057

IUPAC(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H17FN2O2.ClH/c14-12-3-1-11(2-4-12)13(18)16-7-5-15(6-8-16)9-10-17;/h1-4,17H,5-10H2;1H
InChIKeyCHQXIEDCOBSCJM-UHFFFAOYSA-N
MW288.75 g/mol
LogP1.00
Rot. Bonds3

About (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride

(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 3044057) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID3044057
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H17FN2O2.ClH/c14-12-3-1-11(2-4-12)13(18)16-7-5-15(6-8-16)9-10-17;/h1-4,17H,5-10H2;1H
InChIKeyCHQXIEDCOBSCJM-UHFFFAOYSA-N
XLogP1.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
Azd-2927
CID 57345449
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
(4-Benzoyl-piperazin-1-yl)-cyclopropyl-methanone
CID 776691
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
N-(2-Fluorobenzoyl)morpholine
CID 531931

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride (CID 3044057) is (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is CHQXIEDCOBSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.ClH/c14-12-3-1-11(2-4-12)13(18)16-7-5-15(6-8-16)9-10-17;/h1-4,17H,5-10H2;1H.
What are the key properties of (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride?
(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 288.75 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 3044057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).