1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine

C16H30F2N2 — CID 83993289

IUPAC1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(CC2CCCCC2)C1
InChIInChI=1S/C16H30F2N2/c1-2-13-8-15(19-9-16(17)18)12-20(10-13)11-14-6-4-3-5-7-14/h13-16,19H,2-12H2,1H3
InChIKeyWKFHZIYOFFGBLT-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.52
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine

1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine (PubChem CID 83993289) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
PubChem CID83993289
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(CC2CCCCC2)C1
InChIInChI=1S/C16H30F2N2/c1-2-13-8-15(19-9-16(17)18)12-20(10-13)11-14-6-4-3-5-7-14/h13-16,19H,2-12H2,1H3
InChIKeyWKFHZIYOFFGBLT-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
1-(cyclobutylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996036
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993258
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The IUPAC name of 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine (CID 83993289) is 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine is CCC1CC(NCC(F)F)CN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The InChIKey is WKFHZIYOFFGBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-2-13-8-15(19-9-16(17)18)12-20(10-13)11-14-6-4-3-5-7-14/h13-16,19H,2-12H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine is sourced from PubChem (CID 83993289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).