3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine

C12H23FN2 — CID 112567586

IUPAC3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine
SMILESCC1CCNC(C2(F)CCCC(N)C2)C1
InChIInChI=1S/C12H23FN2/c1-9-4-6-15-11(7-9)12(13)5-2-3-10(14)8-12/h9-11,15H,2-8,14H2,1H3
InChIKeyFWITWJCWQCJAAT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.98
Rot. Bonds1

About 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine

3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine (PubChem CID 112567586) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine
PubChem CID112567586
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine
SMILESCC1CCNC(C2(F)CCCC(N)C2)C1
InChIInChI=1S/C12H23FN2/c1-9-4-6-15-11(7-9)12(13)5-2-3-10(14)8-12/h9-11,15H,2-8,14H2,1H3
InChIKeyFWITWJCWQCJAAT-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine (CID 112567586) is 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine is CC1CCNC(C2(F)CCCC(N)C2)C1.
What is the InChIKey of 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine?
The InChIKey is FWITWJCWQCJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9-4-6-15-11(7-9)12(13)5-2-3-10(14)8-12/h9-11,15H,2-8,14H2,1H3.
What are the key properties of 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine?
3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 112567586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).