1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine

C13H24F2N2 — CID 134567171

IUPAC1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(N2CCCCC2)CCC(F)(F)CC1
InChIInChI=1S/C13H24F2N2/c1-16-11-12(17-9-3-2-4-10-17)5-7-13(14,15)8-6-12/h16H,2-11H2,1H3
InChIKeyGQLSKIGABCUFKX-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine

1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine (PubChem CID 134567171) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
PubChem CID134567171
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(N2CCCCC2)CCC(F)(F)CC1
InChIInChI=1S/C13H24F2N2/c1-16-11-12(17-9-3-2-4-10-17)5-7-13(14,15)8-6-12/h16H,2-11H2,1H3
InChIKeyGQLSKIGABCUFKX-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine (CID 134567171) is 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine is CNCC1(N2CCCCC2)CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is GQLSKIGABCUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-16-11-12(17-9-3-2-4-10-17)5-7-13(14,15)8-6-12/h16H,2-11H2,1H3.
What are the key properties of 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine?
1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 246.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1-piperidin-1-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 134567171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).