(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone

C15H21FN2O — CID 113072774

IUPAC(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
SMILESCCCCN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-2-3-8-17-9-11-18(12-10-17)15(19)13-6-4-5-7-14(13)16/h4-7H,2-3,8-12H2,1H3
InChIKeySPCOGABAMRJFRH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.38
Rot. Bonds4

About (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone

(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 113072774) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
PubChem CID113072774
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
SMILESCCCCN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O/c1-2-3-8-17-9-11-18(12-10-17)15(19)13-6-4-5-7-14(13)16/h4-7H,2-3,8-12H2,1H3
InChIKeySPCOGABAMRJFRH-UHFFFAOYSA-N
XLogP2.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]hexan-1-one
CID 78850355
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
(4-butylsulfonyl-1,4-diazepan-1-yl)-(2-fluorophenyl)methanone
CID 110798349
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-propylsulfanylethanone
CID 78898738

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone (CID 113072774) is (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone is CCCCN1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is SPCOGABAMRJFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-3-8-17-9-11-18(12-10-17)15(19)13-6-4-5-7-14(13)16/h4-7H,2-3,8-12H2,1H3.
What are the key properties of (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone?
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 113072774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).