1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine

C15H22ClFN2 — CID 141108645

IUPAC1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine
SMILESCCCCN1CCN(c2cc(C)c(F)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-3-4-5-18-6-8-19(9-7-18)15-10-12(2)14(17)11-13(15)16/h10-11H,3-9H2,1-2H3
InChIKeyCULGSLJNCLPCSX-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.71
Rot. Bonds4

About 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine

1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine (PubChem CID 141108645) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine
PubChem CID141108645
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine
SMILESCCCCN1CCN(c2cc(C)c(F)cc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-3-4-5-18-6-8-19(9-7-18)15-10-12(2)14(17)11-13(15)16/h10-11H,3-9H2,1-2H3
InChIKeyCULGSLJNCLPCSX-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-chloro-4-fluoro-5-methylphenyl)piperazin-1-yl]butoxy]-4,5-dihydro-3H-1,3-benzodiazepin-2-one
CID 159202938
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
CID 103590336
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine
CID 4741826
2-[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperazin-1-yl]ethanamine
CID 117045111
1-butyl-4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23141599
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pentanenitrile
CID 78823634

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine?
The IUPAC name of 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine (CID 141108645) is 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine.
What is the SMILES notation for 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine?
The canonical SMILES for 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine is CCCCN1CCN(c2cc(C)c(F)cc2Cl)CC1.
What is the InChIKey of 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine?
The InChIKey is CULGSLJNCLPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-4-5-18-6-8-19(9-7-18)15-10-12(2)14(17)11-13(15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine?
1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine has a molecular weight of 284.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine is sourced from PubChem (CID 141108645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).