N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine

C17H32F2N2 — CID 154745717

IUPACN-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine
SMILESCCC1(CC)CCC(NC2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C17H32F2N2/c1-3-17(4-2)9-5-14(6-10-17)20-15-7-11-21(12-8-15)13-16(18)19/h14-16,20H,3-13H2,1-2H3
InChIKeyWSQOUMZAITWZNZ-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.05
Rot. Bonds6

About N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine

N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine (PubChem CID 154745717) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine
PubChem CID154745717
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC NameN-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine
SMILESCCC1(CC)CCC(NC2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C17H32F2N2/c1-3-17(4-2)9-5-14(6-10-17)20-15-7-11-21(12-8-15)13-16(18)19/h14-16,20H,3-13H2,1-2H3
InChIKeyWSQOUMZAITWZNZ-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine (CID 154745717) is N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine is CCC1(CC)CCC(NC2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine?
The InChIKey is WSQOUMZAITWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-3-17(4-2)9-5-14(6-10-17)20-15-7-11-21(12-8-15)13-16(18)19/h14-16,20H,3-13H2,1-2H3.
What are the key properties of N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine?
N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine is sourced from PubChem (CID 154745717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).