2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone

C10H18F2N2O2 — CID 106176895

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(F)(F)CO)N1CCCCC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12,8-15)7-13-6-9(16)14-4-2-1-3-5-14/h13,15H,1-8H2
InChIKeyHRMZKKLWFGIGSY-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.22
Rot. Bonds5

About 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone

2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone (PubChem CID 106176895) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
PubChem CID106176895
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(F)(F)CO)N1CCCCC1
InChIInChI=1S/C10H18F2N2O2/c11-10(12,8-15)7-13-6-9(16)14-4-2-1-3-5-14/h13,15H,1-8H2
InChIKeyHRMZKKLWFGIGSY-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone (CID 106176895) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone is O=C(CNCC(F)(F)CO)N1CCCCC1.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is HRMZKKLWFGIGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12,8-15)7-13-6-9(16)14-4-2-1-3-5-14/h13,15H,1-8H2.
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone?
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 236.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 106176895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).