4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine

C11H20F2N2 — CID 126573560

IUPAC4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCC(CC2CNC2)CC1
InChIInChI=1S/C11H20F2N2/c12-11(13)8-15-3-1-9(2-4-15)5-10-6-14-7-10/h9-11,14H,1-8H2
InChIKeyMNJGXDDJASGHHN-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.57
Rot. Bonds4

About 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine

4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine (PubChem CID 126573560) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine
PubChem CID126573560
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine
SMILESFC(F)CN1CCC(CC2CNC2)CC1
InChIInChI=1S/C11H20F2N2/c12-11(13)8-15-3-1-9(2-4-15)5-10-6-14-7-10/h9-11,14H,1-8H2
InChIKeyMNJGXDDJASGHHN-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azetidin-3-yl)ethyl]-4-(2,2-difluoroethyl)piperazine;ethane
CID 145259630
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
3-(cyclopropylmethyl)azetidine
CID 62314893
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-(azetidin-3-yl)-4-(2,2-difluoroethyl)piperazine
CID 66202573
1-(2,2-difluoroethyl)piperazine
CID 19622797
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
CID 167291149
1-(2,2-difluoroethyl)-3,7-dimethyl-1,5-diazocane
CID 115408499
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]thiomorpholine-4-carboxamide
CID 126823311
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 129257459

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine?
The IUPAC name of 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine (CID 126573560) is 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine is FC(F)CN1CCC(CC2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine?
The InChIKey is MNJGXDDJASGHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13)8-15-3-1-9(2-4-15)5-10-6-14-7-10/h9-11,14H,1-8H2.
What are the key properties of 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine?
4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine has a molecular weight of 218.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine is sourced from PubChem (CID 126573560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).