1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine

C13H25FN2 — CID 140709128

IUPAC1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCNCC2)C(F)C1
InChIInChI=1S/C13H25FN2/c1-10(2)11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h10-13,15H,3-9H2,1-2H3
InChIKeyXJEZZEZLYDAJDY-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.05
Rot. Bonds2

About 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine

1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine (PubChem CID 140709128) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine
PubChem CID140709128
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCNCC2)C(F)C1
InChIInChI=1S/C13H25FN2/c1-10(2)11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h10-13,15H,3-9H2,1-2H3
InChIKeyXJEZZEZLYDAJDY-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
4,4'-Dimethyl-2,2'-bipiperidine (mixture of isomers)
CID 5232996
1-(4,4-Dimethylcyclohexyl)piperazine
CID 22179853
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
1-(4-Methylcyclohexyl)piperazine
CID 796165
(4-Methylcyclohexyl)[2-(1-piperidinyl)ethyl]amine
CID 3525972
Sdccgsbi-0662976.P001
CID 104744316
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
2-methyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 60688929
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
CID 75428008

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine (CID 140709128) is 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCNCC2)C(F)C1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is XJEZZEZLYDAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-10(2)11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine?
1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 228.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 140709128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).