1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone

C10H16F4N2O — CID 103529328

IUPAC1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C10H16F4N2O/c1-7(17)16-4-2-8(3-5-16)15-6-10(13,14)9(11)12/h8-9,15H,2-6H2,1H3
InChIKeyRHEKPEZLVDUMJR-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.49
Rot. Bonds4

About 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone

1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone (PubChem CID 103529328) has the molecular formula C10H16F4N2O and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
PubChem CID103529328
Molecular FormulaC10H16F4N2O
Molecular Weight256.24 g/mol
Exact Mass256.12
IUPAC Name1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C10H16F4N2O/c1-7(17)16-4-2-8(3-5-16)15-6-10(13,14)9(11)12/h8-9,15H,2-6H2,1H3
InChIKeyRHEKPEZLVDUMJR-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.49
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-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529557
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
2-[(1-acetylpiperidin-4-yl)amino]acetic acid
CID 22034312
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
CID 113242345
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
CID 60961230

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone (CID 103529328) is 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone?
The InChIKey is RHEKPEZLVDUMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O/c1-7(17)16-4-2-8(3-5-16)15-6-10(13,14)9(11)12/h8-9,15H,2-6H2,1H3.
What are the key properties of 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone?
1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone has a molecular weight of 256.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103529328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).