1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine

C16H30F2N2 — CID 83993263

IUPAC1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCC(F)F)CN(C(C)C2CCC2)C1
InChIInChI=1S/C16H30F2N2/c1-11(2)14-7-15(19-8-16(17)18)10-20(9-14)12(3)13-5-4-6-13/h11-16,19H,4-10H2,1-3H3
InChIKeyBBWSKPGIJKCZKS-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.38
Rot. Bonds6

About 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine

1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine (PubChem CID 83993263) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
PubChem CID83993263
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCC(F)F)CN(C(C)C2CCC2)C1
InChIInChI=1S/C16H30F2N2/c1-11(2)14-7-15(19-8-16(17)18)10-20(9-14)12(3)13-5-4-6-13/h11-16,19H,4-10H2,1-3H3
InChIKeyBBWSKPGIJKCZKS-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
N-cyclopropyl-1-(1-cyclopropylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83991856
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993258
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
1-cyclopentyl-N-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83994520
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
N-[1-(1-cyclobutylethyl)-5-(1-hydroxyethyl)piperidin-3-yl]-2-methylpropanamide
CID 112542898

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine (CID 83993263) is 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine is CC(C)C1CC(NCC(F)F)CN(C(C)C2CCC2)C1.
What is the InChIKey of 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
The InChIKey is BBWSKPGIJKCZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-11(2)14-7-15(19-8-16(17)18)10-20(9-14)12(3)13-5-4-6-13/h11-16,19H,4-10H2,1-3H3.
What are the key properties of 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine?
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83993263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).