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

C16H22ClFN2 — CID 114860665

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2/c1-2-14-8-19-16(11-3-4-11)10-20(14)9-12-5-6-13(17)7-15(12)18/h5-7,11,14,16,19H,2-4,8-10H2,1H3
InChIKeyOIHXMSVKXXVYJV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.44
Rot. Bonds4

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

1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine (PubChem CID 114860665) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
PubChem CID114860665
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H22ClFN2/c1-2-14-8-19-16(11-3-4-11)10-20(14)9-12-5-6-13(17)7-15(12)18/h5-7,11,14,16,19H,2-4,8-10H2,1H3
InChIKeyOIHXMSVKXXVYJV-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 114860324
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
CID 64933546
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine (CID 114860665) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine is CCC1CNC(C2CC2)CN1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
The InChIKey is OIHXMSVKXXVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c1-2-14-8-19-16(11-3-4-11)10-20(14)9-12-5-6-13(17)7-15(12)18/h5-7,11,14,16,19H,2-4,8-10H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine?
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine has a molecular weight of 296.82 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-cyclopropyl-2-ethylpiperazine is sourced from PubChem (CID 114860665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).