(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

C20H23FN2O — CID 71449758

IUPAC(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m0/s1
InChIKeyDKVRRZMTJBDMTP-FQEVSTJZSA-N
MW326.42 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (PubChem CID 71449758) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
PubChem CID71449758
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
SMILESCN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m0/s1
InChIKeyDKVRRZMTJBDMTP-FQEVSTJZSA-N
XLogP2.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
CID 963610
N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide
CID 90027013
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108960695
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
2,2,2-trifluoro-1-[4-(2-phenylacetyl)piperazin-1-yl]ethanone
CID 108533382
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
benzoic acid;1,4-dimethylpiperazine
CID 166460840
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The IUPAC name of (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one (CID 71449758) is (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The canonical SMILES for (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
The InChIKey is DKVRRZMTJBDMTP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one?
(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one has a molecular weight of 326.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 71449758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).