(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate

C20H35NO2 — CID 138319402

IUPAC(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h17-19H,1-16H2
InChIKeyFAKDAZHQONKRBO-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.54
Rot. Bonds5

About (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate

(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate (PubChem CID 138319402) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate
PubChem CID138319402
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate
SMILESO=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h17-19H,1-16H2
InChIKeyFAKDAZHQONKRBO-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dihexyverine
CID 21788
1-(2-Cyclohexyl-2-oxo-acetyl)-piperidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 15380473
Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester
CID 200342
Cyclohexanecarboxylic acid, 4-piperidinocyclohexyl ester, hydrochloride
CID 200343
Dihexyverine Hydrochloride
CID 5744890
(1-Methylpiperidin-3-yl) cyclohexanecarboxylate
CID 4138791
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 58855503
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 89623963
Ethyl 1-[2-[4-[(3-fluorocyclohexyl)methyl]cyclohexyl]oxyethyl]piperidine-4-carboxylate
CID 140449733
Ethyl 1-[2-[4-[(4-fluorocyclohexyl)methyl]cyclohexyl]oxyethyl]piperidine-4-carboxylate
CID 140449862
2-[4-[2-(Cyclohexanecarbonyloxy)ethyl]piperazin-1-yl]ethyl cyclohexanecarboxylate
CID 48613
2-(Azepan-1-yl)ethyl 2,2-dicyclohexylacetate
CID 10960004

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate?
The IUPAC name of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate (CID 138319402) is (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate.
What is the SMILES notation for (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate?
The canonical SMILES for (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate is O=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate?
The InChIKey is FAKDAZHQONKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c22-20(18-12-6-2-7-13-18)23-19(17-10-4-1-5-11-17)16-21-14-8-3-9-15-21/h17-19H,1-16H2.
What are the key properties of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate?
(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate has a molecular weight of 321.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate is sourced from PubChem (CID 138319402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).