(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C12H15Cl2FN2O — CID 119472374

IUPAC(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14;/h2-3,6,8,15H,4-5,7H2,1H3;1H
InChIKeyIFTLVOFXNQKKOL-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.33
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472374) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472374
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C12H14ClFN2O.ClH/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14;/h2-3,6,8,15H,4-5,7H2,1H3;1H
InChIKeyIFTLVOFXNQKKOL-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2-fluoro-4-nitrophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472828
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 155951984

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472374) is (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1cc(Cl)ccc1F.Cl.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IFTLVOFXNQKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O.ClH/c1-8-7-15-4-5-16(8)12(17)10-6-9(13)2-3-11(10)14;/h2-3,6,8,15H,4-5,7H2,1H3;1H.
What are the key properties of (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).