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

C11H21F2N3O2 — CID 104857474

IUPAC4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C11H21F2N3O2/c1-15(2)10(18)16-5-3-9(4-6-16)14-7-11(12,13)8-17/h9,14,17H,3-8H2,1-2H3
InChIKeyCMYAGMUTOUJKQJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.35
Rot. Bonds4

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

4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 104857474) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID104857474
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C11H21F2N3O2/c1-15(2)10(18)16-5-3-9(4-6-16)14-7-11(12,13)8-17/h9,14,17H,3-8H2,1-2H3
InChIKeyCMYAGMUTOUJKQJ-UHFFFAOYSA-N
XLogP0.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
1-Cyclohexyl-3-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methyl-1,3-diazinan-2-yl]urea
CID 140900409
Ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate
CID 47134277
4-acetamido-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 49468481
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 60605165
1-[1-(2-Hydroxybutyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 75444529
N,N-dimethyl-4-(2,2,2-trifluoroethoxyamino)piperidine-1-carboxamide
CID 83262048
4-(hydroxymethyl)-N,N-dimethyl-4-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83266590
2,2,2-Trifluoro-1-[4-(3-hydroxypropylamino)piperidin-1-yl]ethanone
CID 84060326
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 104857474) is 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is CMYAGMUTOUJKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-15(2)10(18)16-5-3-9(4-6-16)14-7-11(12,13)8-17/h9,14,17H,3-8H2,1-2H3.
What are the key properties of 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 104857474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).