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

C16H30F2N2 — CID 83993258

IUPAC1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(C(CC)C2CCC2)C1
InChIInChI=1S/C16H30F2N2/c1-3-12-8-14(19-9-16(17)18)11-20(10-12)15(4-2)13-6-5-7-13/h12-16,19H,3-11H2,1-2H3
InChIKeyYKBKJKPDYOBEKG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.52
Rot. Bonds7

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

1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine (PubChem CID 83993258) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
PubChem CID83993258
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
SMILESCCC1CC(NCC(F)F)CN(C(CC)C2CCC2)C1
InChIInChI=1S/C16H30F2N2/c1-3-12-8-14(19-9-16(17)18)11-20(10-12)15(4-2)13-6-5-7-13/h12-16,19H,3-11H2,1-2H3
InChIKeyYKBKJKPDYOBEKG-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
1-(1-cyclobutylpropyl)-N-ethyl-5-methylpiperidin-3-amine
CID 83990601
N-(cyclopentylmethyl)-1-(1-cyclopropylpropyl)-5-propylpiperidin-3-amine
CID 83998092
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
CID 83999478
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The IUPAC name of 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine (CID 83993258) is 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine.
What is the SMILES notation for 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The canonical SMILES for 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine is CCC1CC(NCC(F)F)CN(C(CC)C2CCC2)C1.
What is the InChIKey of 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
The InChIKey is YKBKJKPDYOBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-3-12-8-14(19-9-16(17)18)11-20(10-12)15(4-2)13-6-5-7-13/h12-16,19H,3-11H2,1-2H3.
What are the key properties of 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine?
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine is sourced from PubChem (CID 83993258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).