4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine

C10H18F2N2 — CID 115023485

IUPAC4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1(F)CCN(CC2CCCN2)CC1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-6-14(7-4-10)8-9-2-1-5-13-9/h9,13H,1-8H2
InChIKeyJXWXOEQXIBOLIS-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.47
Rot. Bonds2

About 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine

4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine (PubChem CID 115023485) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
PubChem CID115023485
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
SMILESFC1(F)CCN(CC2CCCN2)CC1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-6-14(7-4-10)8-9-2-1-5-13-9/h9,13H,1-8H2
InChIKeyJXWXOEQXIBOLIS-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine (CID 115023485) is 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine is FC1(F)CCN(CC2CCCN2)CC1.
What is the InChIKey of 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
The InChIKey is JXWXOEQXIBOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)3-6-14(7-4-10)8-9-2-1-5-13-9/h9,13H,1-8H2.
What are the key properties of 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine?
4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine has a molecular weight of 204.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine is sourced from PubChem (CID 115023485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).