(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone

C15H20ClFN2O — CID 113074834

IUPAC(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-15(2,3)19-9-7-18(8-10-19)14(20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3
InChIKeyGCXUHTHTWVZACI-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.04
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone

(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 113074834) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID113074834
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESCC(C)(C)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O/c1-15(2,3)19-9-7-18(8-10-19)14(20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3
InChIKeyGCXUHTHTWVZACI-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365561
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,5-dichlorophenyl)methanone
CID 108547426

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone (CID 113074834) is (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone is CC(C)(C)N1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is GCXUHTHTWVZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-15(2,3)19-9-7-18(8-10-19)14(20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 298.79 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 113074834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).