3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine

C10H19F2NO — CID 171531443

IUPAC3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZPABLXGCTGAESP-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.04
Rot. Bonds3

About 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine

3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine (PubChem CID 171531443) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
PubChem CID171531443
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine
SMILESCOCC1CCC(F)(F)C(C(C)C)N1
InChIInChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3
InChIKeyZPABLXGCTGAESP-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
(2-Ethyl-1-piperidin-2-ylpentyl) hypofluorite
CID 144738728
5-(4,4-Difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine
CID 146295330
3-[4-(Trifluoromethyl)cyclohexyl]morpholine
CID 149088087
2-Tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine
CID 156872282
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
3,3-Difluoro-6-(methoxymethyl)-2-methylpiperidine
CID 171531275
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
3,3-Difluoro-6-(methoxymethyl)-1-methyl-2-propan-2-ylpiperidine
CID 171532023
2-(Difluoromethoxymethyl)-1,6-di(propan-2-yl)piperidine
CID 171756094
2-(1-Fluoroethoxymethyl)-1,6-di(propan-2-yl)piperidine
CID 175612377

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine (CID 171531443) is 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine is COCC1CCC(F)(F)C(C(C)C)N1.
What is the InChIKey of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
The InChIKey is ZPABLXGCTGAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)9-10(11,12)5-4-8(13-9)6-14-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine?
3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine is sourced from PubChem (CID 171531443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).