N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide

C10H18F2N2O2 — CID 106176991

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)NCC(F)(F)CO
InChIInChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-9(16)4-8-2-1-3-13-5-8/h8,13,15H,1-7H2,(H,14,16)
InChIKeyPHUHREVXEIXLKK-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.12
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide (PubChem CID 106176991) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
PubChem CID106176991
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)NCC(F)(F)CO
InChIInChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-9(16)4-8-2-1-3-13-5-8/h8,13,15H,1-7H2,(H,14,16)
InChIKeyPHUHREVXEIXLKK-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-3-ylacetamide
CID 106255561
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide (CID 106176991) is N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide?
The InChIKey is PHUHREVXEIXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-10(12,7-15)6-14-9(16)4-8-2-1-3-13-5-8/h8,13,15H,1-7H2,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide has a molecular weight of 236.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 106176991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).