2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine

C19H31F4N — CID 86293528

IUPAC2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine
SMILESFC1(F)CCC(C(CC2CCCCN2)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H31F4N/c20-18(21)8-4-14(5-9-18)17(13-16-3-1-2-12-24-16)15-6-10-19(22,23)11-7-15/h14-17,24H,1-13H2
InChIKeyODZQWWGZCHXVIV-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.79
Rot. Bonds4

About 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine

2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine (PubChem CID 86293528) has the molecular formula C19H31F4N and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine
PubChem CID86293528
Molecular FormulaC19H31F4N
Molecular Weight349.46 g/mol
Exact Mass349.24
IUPAC Name2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine
SMILESFC1(F)CCC(C(CC2CCCCN2)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H31F4N/c20-18(21)8-4-14(5-9-18)17(13-16-3-1-2-12-24-16)15-6-10-19(22,23)11-7-15/h14-17,24H,1-13H2
InChIKeyODZQWWGZCHXVIV-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine?
The IUPAC name of 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine (CID 86293528) is 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine.
What is the SMILES notation for 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine?
The canonical SMILES for 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine is FC1(F)CCC(C(CC2CCCCN2)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine?
The InChIKey is ODZQWWGZCHXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F4N/c20-18(21)8-4-14(5-9-18)17(13-16-3-1-2-12-24-16)15-6-10-19(22,23)11-7-15/h14-17,24H,1-13H2.
What are the key properties of 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine?
2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine has a molecular weight of 349.46 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4,4-difluorocyclohexyl)ethyl]piperidine is sourced from PubChem (CID 86293528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).