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

C19H33F2N — CID 86280033

IUPAC2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
SMILESFC1(F)CCC(C(CC2CCCCN2)C2CCCCC2)CC1
InChIInChI=1S/C19H33F2N/c20-19(21)11-9-16(10-12-19)18(15-6-2-1-3-7-15)14-17-8-4-5-13-22-17/h15-18,22H,1-14H2
InChIKeyJRCYNFACSZBPNM-UHFFFAOYSA-N
MW313.48 g/mol
LogP5.54
Rot. Bonds4

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

2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine (PubChem CID 86280033) has the molecular formula C19H33F2N and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
PubChem CID86280033
Molecular FormulaC19H33F2N
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine
SMILESFC1(F)CCC(C(CC2CCCCN2)C2CCCCC2)CC1
InChIInChI=1S/C19H33F2N/c20-19(21)11-9-16(10-12-19)18(15-6-2-1-3-7-15)14-17-8-4-5-13-22-17/h15-18,22H,1-14H2
InChIKeyJRCYNFACSZBPNM-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine?
The IUPAC name of 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine (CID 86280033) is 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine?
The canonical SMILES for 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine is FC1(F)CCC(C(CC2CCCCN2)C2CCCCC2)CC1.
What is the InChIKey of 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine?
The InChIKey is JRCYNFACSZBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F2N/c20-19(21)11-9-16(10-12-19)18(15-6-2-1-3-7-15)14-17-8-4-5-13-22-17/h15-18,22H,1-14H2.
What are the key properties of 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine?
2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine has a molecular weight of 313.48 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-2-(4,4-difluorocyclohexyl)ethyl]piperidine is sourced from PubChem (CID 86280033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).