1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine

C15H23FN2 — CID 64936447

IUPAC1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCc1cc(N2CC(C)NCC2C(C)C)ccc1F
InChIInChI=1S/C15H23FN2/c1-10(2)15-8-17-12(4)9-18(15)13-5-6-14(16)11(3)7-13/h5-7,10,12,15,17H,8-9H2,1-4H3
InChIKeyCOGVYFJNYRSPLE-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine

1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64936447) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64936447
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCc1cc(N2CC(C)NCC2C(C)C)ccc1F
InChIInChI=1S/C15H23FN2/c1-10(2)15-8-17-12(4)9-18(15)13-5-6-14(16)11(3)7-13/h5-7,10,12,15,17H,8-9H2,1-4H3
InChIKeyCOGVYFJNYRSPLE-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
2-ethyl-1-(4-fluoro-3-methylphenyl)-5-methylpiperazine
CID 64939128
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
5-methyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586964
2-(4-fluoro-3-methylphenyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940092
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64936447) is 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine is Cc1cc(N2CC(C)NCC2C(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is COGVYFJNYRSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10(2)15-8-17-12(4)9-18(15)13-5-6-14(16)11(3)7-13/h5-7,10,12,15,17H,8-9H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).