1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine

C15H22ClFN2 — CID 114860324

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2/c1-3-4-14-8-18-11(2)9-19(14)10-12-5-6-13(16)7-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyNGQXHLINPBDXGI-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine

1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine (PubChem CID 114860324) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
PubChem CID114860324
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)CN1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2/c1-3-4-14-8-18-11(2)9-19(14)10-12-5-6-13(16)7-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3
InChIKeyNGQXHLINPBDXGI-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 103050719
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
1-[(5-chloro-2-fluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 103050699
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845956
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845979
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 65317842
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
CID 64844892

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine (CID 114860324) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine is CCCC1CNC(C)CN1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
The InChIKey is NGQXHLINPBDXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-4-14-8-18-11(2)9-19(14)10-12-5-6-13(16)7-15(12)17/h5-7,11,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine?
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine is sourced from PubChem (CID 114860324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).