3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine

C15H28F2N2 — CID 67189724

IUPAC3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNCC(CC1CCC(F)(F)CC1)N1CCCCC1
InChIInChI=1S/C15H28F2N2/c1-18-12-14(19-9-3-2-4-10-19)11-13-5-7-15(16,17)8-6-13/h13-14,18H,2-12H2,1H3
InChIKeyKCIYYWPJQBATQK-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.28
Rot. Bonds5

About 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine

3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 67189724) has the molecular formula C15H28F2N2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID67189724
Molecular FormulaC15H28F2N2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC Name3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCNCC(CC1CCC(F)(F)CC1)N1CCCCC1
InChIInChI=1S/C15H28F2N2/c1-18-12-14(19-9-3-2-4-10-19)11-13-5-7-15(16,17)8-6-13/h13-14,18H,2-12H2,1H3
InChIKeyKCIYYWPJQBATQK-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine (CID 67189724) is 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is CNCC(CC1CCC(F)(F)CC1)N1CCCCC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is KCIYYWPJQBATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2/c1-18-12-14(19-9-3-2-4-10-19)11-13-5-7-15(16,17)8-6-13/h13-14,18H,2-12H2,1H3.
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine?
3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 274.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 67189724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).