3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine

C18H34F2N2 — CID 171598858

IUPAC3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)C1CCC(C)(NC2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C18H34F2N2/c1-13(2)15-6-9-17(5,10-7-15)21-16-8-11-22(14(3)4)12-18(16,19)20/h13-16,21H,6-12H2,1-5H3
InChIKeyMXZGTKWVCXUZOB-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.30
Rot. Bonds4

About 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine

3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 171598858) has the molecular formula C18H34F2N2 and a molecular weight of 316.48 g/mol. Its IUPAC name is 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID171598858
Molecular FormulaC18H34F2N2
Molecular Weight316.48 g/mol
Exact Mass316.27
IUPAC Name3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)C1CCC(C)(NC2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C18H34F2N2/c1-13(2)15-6-9-17(5,10-7-15)21-16-8-11-22(14(3)4)12-18(16,19)20/h13-16,21H,6-12H2,1-5H3
InChIKeyMXZGTKWVCXUZOB-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine with MolForge

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Related Compounds

3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
1,4-di(propan-2-yl)piperidine
CID 21303253
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671259
N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexan-1-ol
CID 170951892
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
N,6-di(propan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 171744333
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166707515
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine (CID 171598858) is 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine is CC(C)C1CCC(C)(NC2CCN(C(C)C)CC2(F)F)CC1.
What is the InChIKey of 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is MXZGTKWVCXUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2/c1-13(2)15-6-9-17(5,10-7-15)21-16-8-11-22(14(3)4)12-18(16,19)20/h13-16,21H,6-12H2,1-5H3.
What are the key properties of 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine?
3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 316.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(1-methyl-4-propan-2-ylcyclohexyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 171598858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).