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

C14H21FN2 — CID 64953690

IUPAC1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(F)cc2)C(C(C)C)CN1
InChIInChI=1S/C14H21FN2/c1-10(2)14-8-16-11(3)9-17(14)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyKJLUPLHABWFXGU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.65
Rot. Bonds2

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

1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64953690) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64953690
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(F)cc2)C(C(C)C)CN1
InChIInChI=1S/C14H21FN2/c1-10(2)14-8-16-11(3)9-17(14)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyKJLUPLHABWFXGU-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270
5-methyl-2-propan-2-yl-1-(1-propan-2-ylpyrazol-4-yl)piperazine
CID 64937028
5-methyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586964
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64953690) is 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2ccc(F)cc2)C(C(C)C)CN1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is KJLUPLHABWFXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)14-8-16-11(3)9-17(14)13-6-4-12(15)5-7-13/h4-7,10-11,14,16H,8-9H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 236.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64953690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).