4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine

C15H24F2N2 — CID 67507811

IUPAC4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine
SMILESFC1(F)CCN(C2CC=C(N3CCCC3)CC2)CC1
InChIInChI=1S/C15H24F2N2/c16-15(17)7-11-19(12-8-15)14-5-3-13(4-6-14)18-9-1-2-10-18/h3,14H,1-2,4-12H2
InChIKeyPHSXZCSHFOFGAE-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds2

About 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine

4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine (PubChem CID 67507811) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine
PubChem CID67507811
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine
SMILESFC1(F)CCN(C2CC=C(N3CCCC3)CC2)CC1
InChIInChI=1S/C15H24F2N2/c16-15(17)7-11-19(12-8-15)14-5-3-13(4-6-14)18-9-1-2-10-18/h3,14H,1-2,4-12H2
InChIKeyPHSXZCSHFOFGAE-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,4-Difluoro-2-methylidenepyrrolidin-1-yl)-1-methylpiperidine
CID 154026249
4-(3,3-Difluoropyrrolidin-1-yl)cyclohexen-1-amine
CID 174318047
7-Piperidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275034
7-Piperidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989171
1-(Cyclohexen-1-yl)pyrrolidine;dihydrofluoride
CID 157446391

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine (CID 67507811) is 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine is FC1(F)CCN(C2CC=C(N3CCCC3)CC2)CC1.
What is the InChIKey of 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine?
The InChIKey is PHSXZCSHFOFGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c16-15(17)7-11-19(12-8-15)14-5-3-13(4-6-14)18-9-1-2-10-18/h3,14H,1-2,4-12H2.
What are the key properties of 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine?
4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine has a molecular weight of 270.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperidine is sourced from PubChem (CID 67507811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).