(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone

C12H15FN2O — CID 62672072

IUPAC(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O/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
InChIKeyUKGMMXAUFFYOBO-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.26
Rot. Bonds1

About (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone

(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 62672072) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID62672072
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15FN2O/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
InChIKeyUKGMMXAUFFYOBO-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone (CID 62672072) is (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is UKGMMXAUFFYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/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.
What are the key properties of (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone?
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).