3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine

C15H23FN2O — CID 64925235

IUPAC3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(OC)c(F)c2)CCN1
InChIInChI=1S/C15H23FN2O/c1-4-11(2)14-10-18(8-7-17-14)12-5-6-15(19-3)13(16)9-12/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyKIQDXKZIUUXBFC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.66
Rot. Bonds4

About 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine

3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine (PubChem CID 64925235) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
PubChem CID64925235
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine
SMILESCCC(C)C1CN(c2ccc(OC)c(F)c2)CCN1
InChIInChI=1S/C15H23FN2O/c1-4-11(2)14-10-18(8-7-17-14)12-5-6-15(19-3)13(16)9-12/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3
InChIKeyKIQDXKZIUUXBFC-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926714
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-1,4-diazepane
CID 54973435
3-butan-2-yl-1-(3-methylsulfanylphenyl)piperazine
CID 64925856
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
CID 64926019
3-butan-2-yl-1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 64923878
3-butan-2-yl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64926215
3-butan-2-yl-1-(3,5-dichlorophenyl)piperazine
CID 64926057
3-butan-2-yl-1-(2,5-dimethoxyphenyl)-1,4-diazepane
CID 64942271
3-butan-2-yl-1-(2,6-difluoro-3-methylphenyl)piperazine
CID 82819374
1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
CID 64920411
1-(5-bromo-2-methoxyphenyl)-3-butan-2-yl-1,4-diazepane
CID 64945226

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine (CID 64925235) is 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine is CCC(C)C1CN(c2ccc(OC)c(F)c2)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine?
The InChIKey is KIQDXKZIUUXBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-11(2)14-10-18(8-7-17-14)12-5-6-15(19-3)13(16)9-12/h5-6,9,11,14,17H,4,7-8,10H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine?
3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine has a molecular weight of 266.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-fluoro-4-methoxyphenyl)piperazine is sourced from PubChem (CID 64925235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).