1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine

C14H21FN2 — CID 64919809

IUPAC1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-11(2)8-13-10-17(7-6-16-13)14-5-3-4-12(15)9-14/h3-5,9,11,13,16H,6-8,10H2,1-2H3
InChIKeyIJGOXTDZGSYATQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine

1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64919809) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
PubChem CID64919809
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H21FN2/c1-11(2)8-13-10-17(7-6-16-13)14-5-3-4-12(15)9-14/h3-5,9,11,13,16H,6-8,10H2,1-2H3
InChIKeyIJGOXTDZGSYATQ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
3-(2-methylpropyl)-1-phenyl-1,4-diazepane
CID 64943310
1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
CID 81267331
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-methylpropyl)piperazine
CID 64923799
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689
1-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64857464
3-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]piperazine
CID 70097382
6-[3-(2-methylpropyl)piperazin-1-yl]-1,3-benzothiazole
CID 107806622

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine (CID 64919809) is 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2cccc(F)c2)CCN1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is IJGOXTDZGSYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(2)8-13-10-17(7-6-16-13)14-5-3-4-12(15)9-14/h3-5,9,11,13,16H,6-8,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine?
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64919809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).