5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine

C17H25FN2 — CID 105375742

IUPAC5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1Cc1cc(F)ccc1C
InChIInChI=1S/C17H25FN2/c1-3-16-9-19-17(13-5-6-13)11-20(16)10-14-8-15(18)7-4-12(14)2/h4,7-8,13,16-17,19H,3,5-6,9-11H2,1-2H3
InChIKeyCFSPQBSRMPOWHM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.10
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine

5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 105375742) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID105375742
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1Cc1cc(F)ccc1C
InChIInChI=1S/C17H25FN2/c1-3-16-9-19-17(13-5-6-13)11-20(16)10-14-8-15(18)7-4-12(14)2/h4,7-8,13,16-17,19H,3,5-6,9-11H2,1-2H3
InChIKeyCFSPQBSRMPOWHM-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64861828
2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
CID 105375725
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
3-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 105375757
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64861649
1-[(5-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-propylpiperazine
CID 103050837
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine (CID 105375742) is 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine is CCC1CNC(C2CC2)CN1Cc1cc(F)ccc1C.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is CFSPQBSRMPOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-16-9-19-17(13-5-6-13)11-20(16)10-14-8-15(18)7-4-12(14)2/h4,7-8,13,16-17,19H,3,5-6,9-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine has a molecular weight of 276.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 105375742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).