3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine

C11H20F2N2 — CID 105426917

IUPAC3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCNCC2(F)F)CC1
InChIInChI=1S/C11H20F2N2/c1-15-6-3-9(4-7-15)10-2-5-14-8-11(10,12)13/h9-10,14H,2-8H2,1H3
InChIKeyOYAJQWZZWCONBB-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.57
Rot. Bonds1

About 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine

3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine (PubChem CID 105426917) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine
PubChem CID105426917
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCNCC2(F)F)CC1
InChIInChI=1S/C11H20F2N2/c1-15-6-3-9(4-7-15)10-2-5-14-8-11(10,12)13/h9-10,14H,2-8H2,1H3
InChIKeyOYAJQWZZWCONBB-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine (CID 105426917) is 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine is CN1CCC(C2CCNCC2(F)F)CC1.
What is the InChIKey of 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is OYAJQWZZWCONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-15-6-3-9(4-7-15)10-2-5-14-8-11(10,12)13/h9-10,14H,2-8H2,1H3.
What are the key properties of 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine?
3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 218.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 105426917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).