[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate

C9H16F2N2O2 — CID 175278128

IUPAC[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate
SMILESCC1(OC(N)=O)CCN(CC(F)F)CC1
InChIInChI=1S/C9H16F2N2O2/c1-9(15-8(12)14)2-4-13(5-3-9)6-7(10)11/h7H,2-6H2,1H3,(H2,12,14)
InChIKeyWDBQWHMRIBJOOW-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.20
Rot. Bonds3

About [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate

[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate (PubChem CID 175278128) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate
PubChem CID175278128
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate
SMILESCC1(OC(N)=O)CCN(CC(F)F)CC1
InChIInChI=1S/C9H16F2N2O2/c1-9(15-8(12)14)2-4-13(5-3-9)6-7(10)11/h7H,2-6H2,1H3,(H2,12,14)
InChIKeyWDBQWHMRIBJOOW-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate?
The IUPAC name of [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate (CID 175278128) is [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate is CC1(OC(N)=O)CCN(CC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate?
The InChIKey is WDBQWHMRIBJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-9(15-8(12)14)2-4-13(5-3-9)6-7(10)11/h7H,2-6H2,1H3,(H2,12,14).
What are the key properties of [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate?
[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate has a molecular weight of 222.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl] carbamate is sourced from PubChem (CID 175278128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).