(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride

C12H16ClFN2O — CID 68757495

IUPAC(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-9-8-14-5-6-15(9)12(16)10-3-2-4-11(13)7-10;/h2-4,7,9,14H,5-6,8H2,1H3;1H/t9-;/m0./s1
InChIKeyUFIIYUBAOFVLIW-FVGYRXGTSA-N
MW258.72 g/mol
LogP1.68
Rot. Bonds1

About (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride

(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 68757495) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
PubChem CID68757495
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-9-8-14-5-6-15(9)12(16)10-3-2-4-11(13)7-10;/h2-4,7,9,14H,5-6,8H2,1H3;1H/t9-;/m0./s1
InChIKeyUFIIYUBAOFVLIW-FVGYRXGTSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride (CID 68757495) is (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride is C[C@H]1CNCCN1C(=O)c1cccc(F)c1.Cl.
What is the InChIKey of (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is UFIIYUBAOFVLIW-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-9-8-14-5-6-15(9)12(16)10-3-2-4-11(13)7-10;/h2-4,7,9,14H,5-6,8H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride?
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 68757495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).