(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone

C15H19FN2O — CID 47002075

IUPAC(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
SMILESC=C(C)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O/c1-12(2)11-17-7-9-18(10-8-17)15(19)13-3-5-14(16)6-4-13/h3-6H,1,7-11H2,2H3
InChIKeyXPCPZMBIZGHOET-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.16
Rot. Bonds3

About (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 47002075) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID47002075
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
SMILESC=C(C)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O/c1-12(2)11-17-7-9-18(10-8-17)15(19)13-3-5-14(16)6-4-13/h3-6H,1,7-11H2,2H3
InChIKeyXPCPZMBIZGHOET-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 134001197
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705306
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone (CID 47002075) is (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone is C=C(C)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is XPCPZMBIZGHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-12(2)11-17-7-9-18(10-8-17)15(19)13-3-5-14(16)6-4-13/h3-6H,1,7-11H2,2H3.
What are the key properties of (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 262.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 47002075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).