5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine

C13H27FN2 — CID 81113589

IUPAC5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCF)C(C(C)C)CN1
InChIInChI=1S/C13H27FN2/c1-5-13(4)10-16(8-6-7-14)12(9-15-13)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyUGAUNVJQRDUMDW-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.44
Rot. Bonds5

About 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine

5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 81113589) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID81113589
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCF)C(C(C)C)CN1
InChIInChI=1S/C13H27FN2/c1-5-13(4)10-16(8-6-7-14)12(9-15-13)11(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeyUGAUNVJQRDUMDW-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113712
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
5-ethyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170433
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine (CID 81113589) is 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(CCCF)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is UGAUNVJQRDUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-5-13(4)10-16(8-6-7-14)12(9-15-13)11(2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine?
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 81113589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).