[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone

C20H23FN2O — CID 764804

IUPAC[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyMONHGETZKBGWPA-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.35
Rot. Bonds4

About [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone

[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 764804) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID764804
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15H2,1H3
InChIKeyMONHGETZKBGWPA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone;oxalic acid
CID 17366433
(3-fluorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399259
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838903
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (CID 764804) is [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone is CCc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is MONHGETZKBGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 326.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 764804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).