1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine

C14H25F2NO — CID 58341563

IUPAC1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine
SMILESCC(F)(F)COC1CCCCC1N1CCCCC1
InChIInChI=1S/C14H25F2NO/c1-14(15,16)11-18-13-8-4-3-7-12(13)17-9-5-2-6-10-17/h12-13H,2-11H2,1H3
InChIKeyUNXHQMGNIDILQU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine

1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine (PubChem CID 58341563) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine
PubChem CID58341563
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine
SMILESCC(F)(F)COC1CCCCC1N1CCCCC1
InChIInChI=1S/C14H25F2NO/c1-14(15,16)11-18-13-8-4-3-7-12(13)17-9-5-2-6-10-17/h12-13H,2-11H2,1H3
InChIKeyUNXHQMGNIDILQU-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine?
The IUPAC name of 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine (CID 58341563) is 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine.
What is the SMILES notation for 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine?
The canonical SMILES for 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine is CC(F)(F)COC1CCCCC1N1CCCCC1.
What is the InChIKey of 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine?
The InChIKey is UNXHQMGNIDILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-14(15,16)11-18-13-8-4-3-7-12(13)17-9-5-2-6-10-17/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine?
1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoropropoxy)cyclohexyl]piperidine is sourced from PubChem (CID 58341563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).