(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone

C17H25FN2O — CID 88873532

IUPAC(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(CCF)CC2)cc1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)15-6-4-14(5-7-15)16(21)20-12-10-19(9-8-18)11-13-20/h4-7H,8-13H2,1-3H3
InChIKeyOSJKUPBQNOIVSV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.71
Rot. Bonds3

About (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone (PubChem CID 88873532) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
PubChem CID88873532
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(CCF)CC2)cc1
InChIInChI=1S/C17H25FN2O/c1-17(2,3)15-6-4-14(5-7-15)16(21)20-12-10-19(9-8-18)11-13-20/h4-7H,8-13H2,1-3H3
InChIKeyOSJKUPBQNOIVSV-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
[4-(2-chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63395121
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
[4-(3-hydroxypropyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110898053
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
(4-tert-butylphenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 71790581

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone (CID 88873532) is (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(CCF)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone?
The InChIKey is OSJKUPBQNOIVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(2,3)15-6-4-14(5-7-15)16(21)20-12-10-19(9-8-18)11-13-20/h4-7H,8-13H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone has a molecular weight of 292.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 88873532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).