(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one

C15H21FN2O — CID 124694280

IUPAC(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
SMILESC[C@H]1CN(C(=O)C[C@H](C)c2ccccc2F)CCN1
InChIInChI=1S/C15H21FN2O/c1-11(13-5-3-4-6-14(13)16)9-15(19)18-8-7-17-12(2)10-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyZQGSQIUKHDIFDM-RYUDHWBXSA-N
MW264.34 g/mol
LogP2.14
Rot. Bonds3

About (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one

(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one (PubChem CID 124694280) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
PubChem CID124694280
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
SMILESC[C@H]1CN(C(=O)C[C@H](C)c2ccccc2F)CCN1
InChIInChI=1S/C15H21FN2O/c1-11(13-5-3-4-6-14(13)16)9-15(19)18-8-7-17-12(2)10-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyZQGSQIUKHDIFDM-RYUDHWBXSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one 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

(3R)-3-(2-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124591145
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 120658547
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
CID 122147864
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
1-(3-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119576666
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086390
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086387
3-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)butan-1-one
CID 119579126
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one?
The IUPAC name of (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one (CID 124694280) is (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one is C[C@H]1CN(C(=O)C[C@H](C)c2ccccc2F)CCN1.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one?
The InChIKey is ZQGSQIUKHDIFDM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(13-5-3-4-6-14(13)16)9-15(19)18-8-7-17-12(2)10-18/h3-6,11-12,17H,7-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one?
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 124694280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).