4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide

C9H17F2N3O2 — CID 104857466

IUPAC4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-7-1-3-14(4-2-7)8(12)16/h7,13,15H,1-6H2,(H2,12,16)
InChIKeyIZEYUTUISJOEKI-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.25
Rot. Bonds4

About 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide

4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide (PubChem CID 104857466) has the molecular formula C9H17F2N3O2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide
PubChem CID104857466
Molecular FormulaC9H17F2N3O2
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC Name4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-7-1-3-14(4-2-7)8(12)16/h7,13,15H,1-6H2,(H2,12,16)
InChIKeyIZEYUTUISJOEKI-UHFFFAOYSA-N
XLogP-0.25
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900409
3-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 43770625
3-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64851213
1-[1-(2-Hydroxybutyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 75444529
3-(3-Hydroxypropylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 84001263
2,2,2-Trifluoro-1-[4-(3-hydroxypropylamino)piperidin-1-yl]ethanone
CID 84060326
2,2,2-Trifluoro-1-[3-(3-hydroxypropylamino)piperidin-1-yl]ethanone
CID 84060337
1-[1-[(2S)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335352
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 97335353
4-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
CID 103778625
4-[(3,3-Difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
CID 103787894
N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
CID 103912756

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide (CID 104857466) is 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide is NC(=O)N1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide?
The InChIKey is IZEYUTUISJOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O2/c10-9(11,6-15)5-13-7-1-3-14(4-2-7)8(12)16/h7,13,15H,1-6H2,(H2,12,16).
What are the key properties of 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide?
4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide has a molecular weight of 237.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 104857466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).