1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine

C15H27F2N — CID 58395236

IUPAC1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine
SMILESCC(C)(C)C1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H27F2N/c1-14(2,3)12-4-6-13(7-5-12)18-10-8-15(16,17)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyPQKFXDYTMDTNBP-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.32
Rot. Bonds1

About 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine

1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine (PubChem CID 58395236) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine
PubChem CID58395236
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine
SMILESCC(C)(C)C1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H27F2N/c1-14(2,3)12-4-6-13(7-5-12)18-10-8-15(16,17)9-11-18/h12-13H,4-11H2,1-3H3
InChIKeyPQKFXDYTMDTNBP-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine (CID 58395236) is 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine is CC(C)(C)C1CCC(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine?
The InChIKey is PQKFXDYTMDTNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-14(2,3)12-4-6-13(7-5-12)18-10-8-15(16,17)9-11-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine?
1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine has a molecular weight of 259.38 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4,4-difluoropiperidine is sourced from PubChem (CID 58395236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).