3-(3,3,3-trifluoropropylamino)piperidin-2-one

C8H13F3N2O — CID 64554624

IUPAC3-(3,3,3-trifluoropropylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-5-12-6-2-1-4-13-7(6)14/h6,12H,1-5H2,(H,13,14)
InChIKeyMFBLCMIBDJJWKD-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.81
Rot. Bonds3

About 3-(3,3,3-trifluoropropylamino)piperidin-2-one

3-(3,3,3-trifluoropropylamino)piperidin-2-one (PubChem CID 64554624) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)piperidin-2-one
PubChem CID64554624
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-(3,3,3-trifluoropropylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)3-5-12-6-2-1-4-13-7(6)14/h6,12H,1-5H2,(H,13,14)
InChIKeyMFBLCMIBDJJWKD-UHFFFAOYSA-N
XLogP0.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pentylamino)piperidin-2-one
CID 62093756
3-(dodecylamino)piperidin-2-one
CID 63492267
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
3,3,3-trifluoro-2-[[(2-oxopiperidin-3-yl)amino]methyl]propanoic acid
CID 103248597
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-(3-methylsulfonylpropylamino)piperidin-2-one
CID 63191547
3-[2-(1-methylpiperidin-4-yl)ethylamino]azepan-2-one
CID 114515595
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880
3-(pent-4-ynylamino)azepan-2-one
CID 103711250
3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
3-(2-chloroprop-2-enylamino)piperidin-2-one
CID 62093427

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)piperidin-2-one?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)piperidin-2-one (CID 64554624) is 3-(3,3,3-trifluoropropylamino)piperidin-2-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)piperidin-2-one?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)piperidin-2-one is O=C1NCCCC1NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)piperidin-2-one?
The InChIKey is MFBLCMIBDJJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)3-5-12-6-2-1-4-13-7(6)14/h6,12H,1-5H2,(H,13,14).
What are the key properties of 3-(3,3,3-trifluoropropylamino)piperidin-2-one?
3-(3,3,3-trifluoropropylamino)piperidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)piperidin-2-one is sourced from PubChem (CID 64554624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).