(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone

C12H14ClFN2O — CID 103875464

IUPAC(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C12H14ClFN2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyAORPBHZNMRETPO-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.87
Rot. Bonds1

About (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone

(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 103875464) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID103875464
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C12H14ClFN2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKeyAORPBHZNMRETPO-UHFFFAOYSA-N
XLogP1.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
(4-chloro-3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113343512
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 59295895
(4-chloro-3-fluorophenyl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 107994389
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(4-chloro-3-fluorophenyl)-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 72880100
(4-chloro-3-fluorophenyl)-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 155867549
1-(4-chloro-3-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 106703612
(5-amino-1,3-dihydroisoindol-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107997623
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone (CID 103875464) is (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AORPBHZNMRETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone?
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 256.71 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 103875464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).