2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine

C18H30F3N — CID 143823256

IUPAC2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C18H30F3N/c1-11-2-4-12(5-3-11)14-9-17(21)18(22-10-14)13-6-7-15(19)16(20)8-13/h11-18,22H,2-10H2,1H3
InChIKeyYSSIISZVTANRNS-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.61
Rot. Bonds2

About 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine

2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine (PubChem CID 143823256) has the molecular formula C18H30F3N and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine
PubChem CID143823256
Molecular FormulaC18H30F3N
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)CC1
InChIInChI=1S/C18H30F3N/c1-11-2-4-12(5-3-11)14-9-17(21)18(22-10-14)13-6-7-15(19)16(20)8-13/h11-18,22H,2-10H2,1H3
InChIKeyYSSIISZVTANRNS-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine?
The IUPAC name of 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine (CID 143823256) is 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine.
What is the SMILES notation for 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine?
The canonical SMILES for 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine is CC1CCC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)CC1.
What is the InChIKey of 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine?
The InChIKey is YSSIISZVTANRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3N/c1-11-2-4-12(5-3-11)14-9-17(21)18(22-10-14)13-6-7-15(19)16(20)8-13/h11-18,22H,2-10H2,1H3.
What are the key properties of 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine?
2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine has a molecular weight of 317.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine is sourced from PubChem (CID 143823256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).