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

C20H36ClNO2 — CID 138319401

IUPAC(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride
SMILESCl.O=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO2.ClH/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;1H
InChIKeyNVIXUDWVJZTFSL-UHFFFAOYSA-N
MW357.97 g/mol
LogP4.97
Rot. Bonds5

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

(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride (PubChem CID 138319401) has the molecular formula C20H36ClNO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride.

Molecular Properties

Compound Name(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride
PubChem CID138319401
Molecular FormulaC20H36ClNO2
Molecular Weight357.97 g/mol
Exact Mass357.24
IUPAC Name(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride
SMILESCl.O=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35NO2.ClH/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;1H
InChIKeyNVIXUDWVJZTFSL-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 21788
CID 21788
CID 21787
CID 21787
CID 200342
CID 200342
CID 200343
CID 200343
CID 5744890
CID 5744890
CID 49860582
CID 49860582
CID 4138791
CID 4138791
CID 58855503
CID 58855503
CID 89623963
CID 89623963
CID 140449733
CID 140449733
CID 140449862
CID 140449862
CID 138319402
CID 138319402

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride?
The IUPAC name of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride (CID 138319401) is (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride.
What is the SMILES notation for (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride?
The canonical SMILES for (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride is Cl.O=C(OC(CN1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride?
The InChIKey is NVIXUDWVJZTFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2.ClH/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;1H.
What are the key properties of (1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride?
(1-cyclohexyl-2-piperidin-1-ylethyl) cyclohexanecarboxylate;hydrochloride has a molecular weight of 357.97 g/mol, XLogP of 4.97, 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;hydrochloride is sourced from PubChem (CID 138319401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).