1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one

C14H26F2N2O — CID 140912257

IUPAC1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(NCC(C)(F)F)CC1
InChIInChI=1S/C14H26F2N2O/c1-13(2,3)9-12(19)18-7-5-11(6-8-18)17-10-14(4,15)16/h11,17H,5-10H2,1-4H3
InChIKeyRXGUTYILWMYRIN-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 140912257) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID140912257
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(NCC(C)(F)F)CC1
InChIInChI=1S/C14H26F2N2O/c1-13(2,3)9-12(19)18-7-5-11(6-8-18)17-10-14(4,15)16/h11,17H,5-10H2,1-4H3
InChIKeyRXGUTYILWMYRIN-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butylcarbonylaminopiperidine
CID 1445176
2,2-dimethyl-N-[1-(methylethyl)(4-piperidyl)]propanamide
CID 25236580
N-(1-ethylpiperidin-4-yl)butanamide
CID 17250288
3,3-dimethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236109
2-ethyl-N-(1-methyl(4-piperidyl))butanamide
CID 25236112
3-methyl-N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236581
N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236642
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
N-[1-(2-fluoroethyl)piperidin-4-yl]acetamide
CID 130652776
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
CID 135063588

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 140912257) is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(NCC(C)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is RXGUTYILWMYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-13(2,3)9-12(19)18-7-5-11(6-8-18)17-10-14(4,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 276.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 140912257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).