2-(4-fluorocyclohexyl)-5-methylpiperazine

C11H21FN2 — CID 20603163

IUPAC2-(4-fluorocyclohexyl)-5-methylpiperazine
SMILESCC1CNC(C2CCC(F)CC2)CN1
InChIInChI=1S/C11H21FN2/c1-8-6-14-11(7-13-8)9-2-4-10(12)5-3-9/h8-11,13-14H,2-7H2,1H3
InChIKeyAILMLQBLCMCGMM-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.46
Rot. Bonds1

About 2-(4-fluorocyclohexyl)-5-methylpiperazine

2-(4-fluorocyclohexyl)-5-methylpiperazine (PubChem CID 20603163) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-5-methylpiperazine
PubChem CID20603163
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name2-(4-fluorocyclohexyl)-5-methylpiperazine
SMILESCC1CNC(C2CCC(F)CC2)CN1
InChIInChI=1S/C11H21FN2/c1-8-6-14-11(7-13-8)9-2-4-10(12)5-3-9/h8-11,13-14H,2-7H2,1H3
InChIKeyAILMLQBLCMCGMM-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-5-methylpiperazine?
The IUPAC name of 2-(4-fluorocyclohexyl)-5-methylpiperazine (CID 20603163) is 2-(4-fluorocyclohexyl)-5-methylpiperazine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-5-methylpiperazine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-5-methylpiperazine is CC1CNC(C2CCC(F)CC2)CN1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-5-methylpiperazine?
The InChIKey is AILMLQBLCMCGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-8-6-14-11(7-13-8)9-2-4-10(12)5-3-9/h8-11,13-14H,2-7H2,1H3.
What are the key properties of 2-(4-fluorocyclohexyl)-5-methylpiperazine?
2-(4-fluorocyclohexyl)-5-methylpiperazine has a molecular weight of 200.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-5-methylpiperazine is sourced from PubChem (CID 20603163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).