2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

C13H25FN2 — CID 81113712

IUPAC2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1(C)CN(CCCF)C(C2CC2)CN1
InChIInChI=1S/C13H25FN2/c1-3-13(2)10-16(8-4-7-14)12(9-15-13)11-5-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyZODWENIHJYRFRG-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.20
Rot. Bonds5

About 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (PubChem CID 81113712) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
PubChem CID81113712
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1(C)CN(CCCF)C(C2CC2)CN1
InChIInChI=1S/C13H25FN2/c1-3-13(2)10-16(8-4-7-14)12(9-15-13)11-5-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyZODWENIHJYRFRG-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3-ethoxypropyl)-5-ethyl-5-methylpiperazine
CID 65177810
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
2-cyclohexyl-5-ethyl-5-methyl-1-(4-methylpentyl)piperazine
CID 83148532
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763
2-cyclohexyl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64849473
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
2-cyclopropyl-5-ethyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64848711
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175
2-cyclopropyl-5-ethyl-5-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
CID 103141435
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (CID 81113712) is 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is CCC1(C)CN(CCCF)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The InChIKey is ZODWENIHJYRFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-3-13(2)10-16(8-4-7-14)12(9-15-13)11-5-6-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine has a molecular weight of 228.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is sourced from PubChem (CID 81113712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).