cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine

C14H26F2N2O — CID 156745896

IUPACcis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine
SMILESCC(C)N1CCC(O[C@H]2CCCC(F)(F)[C@@H]2N)CC1
InChIInChI=1S/C14H26F2N2O/c1-10(2)18-8-5-11(6-9-18)19-12-4-3-7-14(15,16)13(12)17/h10-13H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyLEVCJUFURNDRCG-QWHCGFSZSA-N
MW276.37 g/mol
LogP2.39
Rot. Bonds3

About cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine

cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine (PubChem CID 156745896) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine
PubChem CID156745896
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Namecis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine
SMILESCC(C)N1CCC(O[C@H]2CCCC(F)(F)[C@@H]2N)CC1
InChIInChI=1S/C14H26F2N2O/c1-10(2)18-8-5-11(6-9-18)19-12-4-3-7-14(15,16)13(12)17/h10-13H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyLEVCJUFURNDRCG-QWHCGFSZSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,2-Difluoropropoxy)cyclohexyl]morpholine
CID 58341559
1-[2-(2,2-Difluoropropoxy)cyclohexyl]piperidine
CID 58341563
4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-N-methylcyclohexan-1-amine
CID 68387798
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383
4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine;ethane;3-fluoro-N-methyloxan-4-amine
CID 144014693
4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-N-methylcyclohexan-1-amine;ethane
CID 144158981
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429499
4-(3,3-Difluorocyclohexyl)oxy-1-propan-2-ylpiperidine
CID 156429522
(6S)-2,2-difluoro-6-[(3S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429808
cis-(1R,6S)-2,2-difluoro-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156429836
2,2-Difluoro-6-[(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)oxy]cyclohexan-1-amine
CID 156745892
cis-(1R,6S)-2,2-difluoro-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxycyclohexan-1-amine
CID 156745894

Frequently Asked Questions

What is the IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine (CID 156745896) is cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine is CC(C)N1CCC(O[C@H]2CCCC(F)(F)[C@@H]2N)CC1.
What is the InChIKey of cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine?
The InChIKey is LEVCJUFURNDRCG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-10(2)18-8-5-11(6-9-18)19-12-4-3-7-14(15,16)13(12)17/h10-13H,3-9,17H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine?
cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine has a molecular weight of 276.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 156745896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).