(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate

C15H25F2NO2 — CID 155469669

IUPAC(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H25F2NO2/c1-11(2)12-5-9-18(10-6-12)14(19)20-13-3-7-15(16,17)8-4-13/h11-13H,3-10H2,1-2H3
InChIKeyBQALRQVGJFDRBQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.07
Rot. Bonds2

About (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate

(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 155469669) has the molecular formula C15H25F2NO2 and a molecular weight of 289.37 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID155469669
Molecular FormulaC15H25F2NO2
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C15H25F2NO2/c1-11(2)12-5-9-18(10-6-12)14(19)20-13-3-7-15(16,17)8-4-13/h11-13H,3-10H2,1-2H3
InChIKeyBQALRQVGJFDRBQ-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate (CID 155469669) is (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OC2CCC(F)(F)CC2)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is BQALRQVGJFDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO2/c1-11(2)12-5-9-18(10-6-12)14(19)20-13-3-7-15(16,17)8-4-13/h11-13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate?
(4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl) 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 155469669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).