(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate

C18H33NO2 — CID 63541396

IUPAC(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CC(C)CC(C)(C)C2)CCCNC1
InChIInChI=1S/C18H33NO2/c1-5-7-18(8-6-9-19-13-18)16(20)21-15-10-14(2)11-17(3,4)12-15/h14-15,19H,5-13H2,1-4H3
InChIKeyNCSGWFWNPZWPBD-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.91
Rot. Bonds4

About (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate

(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate (PubChem CID 63541396) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate
PubChem CID63541396
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC2CC(C)CC(C)(C)C2)CCCNC1
InChIInChI=1S/C18H33NO2/c1-5-7-18(8-6-9-19-13-18)16(20)21-15-10-14(2)11-17(3,4)12-15/h14-15,19H,5-13H2,1-4H3
InChIKeyNCSGWFWNPZWPBD-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate (CID 63541396) is (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OC2CC(C)CC(C)(C)C2)CCCNC1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
The InChIKey is NCSGWFWNPZWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-7-18(8-6-9-19-13-18)16(20)21-15-10-14(2)11-17(3,4)12-15/h14-15,19H,5-13H2,1-4H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate?
(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 63541396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).