3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine

C12H22F2N2 — CID 123226842

IUPAC3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine
SMILESFC1(F)CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C12H22F2N2/c13-12(14)5-4-8-16(11-12)10-9-15-6-2-1-3-7-15/h1-11H2
InChIKeyUARHUUOVPBUSOC-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.20
Rot. Bonds3

About 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine

3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine (PubChem CID 123226842) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine
PubChem CID123226842
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine
SMILESFC1(F)CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C12H22F2N2/c13-12(14)5-4-8-16(11-12)10-9-15-6-2-1-3-7-15/h1-11H2
InChIKeyUARHUUOVPBUSOC-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dipiperidinoethane
CID 74733
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
1-[Difluoro(piperidin-1-yl)methyl]piperidine
CID 23443576
3,3-difluoro-1-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580792
3,3-difluoro-1-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine
CID 66580866
4-Piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine
CID 67977919
1-(3,3-Difluoropentyl)-4-ethylpiperazine
CID 68037575
4,4-Difluoro-1'-methyl-1,4'-bipiperidine
CID 69929291
1-(1-Methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 70974052
3,3-Difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
CID 77147828
1-(2-Fluoroethyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 89946650
2-(3,3-difluoropiperidin-1-yl)-N,N-dimethylethanamine
CID 117007661

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine (CID 123226842) is 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine is FC1(F)CCCN(CCN2CCCCC2)C1.
What is the InChIKey of 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine?
The InChIKey is UARHUUOVPBUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c13-12(14)5-4-8-16(11-12)10-9-15-6-2-1-3-7-15/h1-11H2.
What are the key properties of 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine?
3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine has a molecular weight of 232.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-piperidin-1-ylethyl)piperidine is sourced from PubChem (CID 123226842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).