3-[(2,2-difluorocyclopropyl)methoxy]piperidine

C9H15F2NO — CID 126845139

IUPAC3-[(2,2-difluorocyclopropyl)methoxy]piperidine
SMILESFC1(F)CC1COC1CCCNC1
InChIInChI=1S/C9H15F2NO/c10-9(11)4-7(9)6-13-8-2-1-3-12-5-8/h7-8,12H,1-6H2
InChIKeyWVALFEKHETXLJB-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.41
Rot. Bonds3

About 3-[(2,2-difluorocyclopropyl)methoxy]piperidine

3-[(2,2-difluorocyclopropyl)methoxy]piperidine (PubChem CID 126845139) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methoxy]piperidine
PubChem CID126845139
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-[(2,2-difluorocyclopropyl)methoxy]piperidine
SMILESFC1(F)CC1COC1CCCNC1
InChIInChI=1S/C9H15F2NO/c10-9(11)4-7(9)6-13-8-2-1-3-12-5-8/h7-8,12H,1-6H2
InChIKeyWVALFEKHETXLJB-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-difluorocyclopropyl)methoxymethyl]piperidine
CID 126845147
3-(cyclobutylmethoxy)piperidine
CID 53409348
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
3-(cyclopentyloxymethyl)piperidine
CID 24693389
2-piperidin-3-yloxyethanol
CID 43197065
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-prop-2-ynoxypiperidine
CID 45075367
3-methyl-5-(piperidin-3-yloxymethyl)oxolane-2,4-diol
CID 170064734
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
(3S)-3-(2-bromoprop-2-enoxy)piperidine
CID 66247193

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]piperidine?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methoxy]piperidine (CID 126845139) is 3-[(2,2-difluorocyclopropyl)methoxy]piperidine.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methoxy]piperidine?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methoxy]piperidine is FC1(F)CC1COC1CCCNC1.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methoxy]piperidine?
The InChIKey is WVALFEKHETXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)4-7(9)6-13-8-2-1-3-12-5-8/h7-8,12H,1-6H2.
What are the key properties of 3-[(2,2-difluorocyclopropyl)methoxy]piperidine?
3-[(2,2-difluorocyclopropyl)methoxy]piperidine has a molecular weight of 191.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methoxy]piperidine is sourced from PubChem (CID 126845139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).