1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone

C10H18F2N2O2 — CID 104857925

IUPAC1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C10H18F2N2O2/c1-8(16)14-4-2-9(3-5-14)13-6-10(11,12)7-15/h9,13,15H,2-7H2,1H3
InChIKeyXRBDZPMQBQPSMY-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.21
Rot. Bonds4

About 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone

1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone (PubChem CID 104857925) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone
PubChem CID104857925
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C10H18F2N2O2/c1-8(16)14-4-2-9(3-5-14)13-6-10(11,12)7-15/h9,13,15H,2-7H2,1H3
InChIKeyXRBDZPMQBQPSMY-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone (CID 104857925) is 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone?
The InChIKey is XRBDZPMQBQPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-8(16)14-4-2-9(3-5-14)13-6-10(11,12)7-15/h9,13,15H,2-7H2,1H3.
What are the key properties of 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone has a molecular weight of 236.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 104857925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).