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

C11H21F2N3O2 — CID 103912841

IUPAC4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C11H21F2N3O2/c1-15(2)11(18)16-5-3-8(4-6-16)14-7-9(17)10(12)13/h8-10,14,17H,3-7H2,1-2H3
InChIKeyHUQPHEDHVIAYER-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.35
Rot. Bonds4

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

4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 103912841) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID103912841
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C11H21F2N3O2/c1-15(2)11(18)16-5-3-8(4-6-16)14-7-9(17)10(12)13/h8-10,14,17H,3-7H2,1-2H3
InChIKeyHUQPHEDHVIAYER-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 103912841) is 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCC(O)C(F)F)CC1.
What is the InChIKey of 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is HUQPHEDHVIAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-15(2)11(18)16-5-3-8(4-6-16)14-7-9(17)10(12)13/h8-10,14,17H,3-7H2,1-2H3.
What are the key properties of 4-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(3,3-difluoro-2-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-[(3,3-difluoro-2-hydroxypropyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 103912841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).