1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one

C12H18F4N2O — CID 103807420

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCC(NCC2CC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C12H18F4N2O/c13-10(14)12(15,16)11(19)18-5-3-9(4-6-18)17-7-8-1-2-8/h8-10,17H,1-7H2
InChIKeyRQWNCXBQWAYYCV-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.88
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 103807420) has the molecular formula C12H18F4N2O and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one
PubChem CID103807420
Molecular FormulaC12H18F4N2O
Molecular Weight282.28 g/mol
Exact Mass282.14
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCC(NCC2CC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C12H18F4N2O/c13-10(14)12(15,16)11(19)18-5-3-9(4-6-18)17-7-8-1-2-8/h8-10,17H,1-7H2
InChIKeyRQWNCXBQWAYYCV-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopropanecarbonylpiperidin-4-amine
CID 3163331
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
2-methyl-N-[1-(propan-2-yl)piperidin-4-yl]propanamide
CID 25236583
2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 25236862
1-Cyclopropanecarbonylpiperidin-4-amine hydrochloride
CID 50944219
N-(piperidin-4-yl)cyclopropanecarboxamide hydrochloride
CID 53255532
N-(1-ethylpiperidin-4-yl)cyclopropanecarboxamide
CID 17250293
N-(1-methylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236113
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 47939374

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one (CID 103807420) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one is O=C(N1CCC(NCC2CC2)CC1)C(F)(F)C(F)F.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is RQWNCXBQWAYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N2O/c13-10(14)12(15,16)11(19)18-5-3-9(4-6-18)17-7-8-1-2-8/h8-10,17H,1-7H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 282.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 103807420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).