5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

C17H25FN2 — CID 64931009

IUPAC5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3
InChIKeyYPIHFELANXXXCK-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.43
Rot. Bonds3

About 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64931009) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64931009
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3
InChIKeyYPIHFELANXXXCK-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64933548
3-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1,4-diazepane
CID 64945068
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935824
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64931009) is 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C2CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is YPIHFELANXXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12(2)16-10-19-17(3,13-4-5-13)11-20(16)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,4-5,10-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).