ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride

C14H26ClNO2 — CID 117066897

IUPACethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-17-13(16)14(9-5-3-6-10-14)15-11-7-4-8-12-15;/h2-12H2,1H3;1H
InChIKeyIBGKULILLFAOAU-UHFFFAOYSA-N
MW275.82 g/mol
LogP3.16
Rot. Bonds3

About ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride

ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 117066897) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
PubChem CID117066897
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Nameethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N2CCCCC2)CCCCC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-17-13(16)14(9-5-3-6-10-14)15-11-7-4-8-12-15;/h2-12H2,1H3;1H
InChIKeyIBGKULILLFAOAU-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081
ethyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089166
ethyl 3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-3-carboxylate
CID 62976410
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
1-(1-piperidin-1-ylcyclopentyl)nonan-1-one
CID 79059235

Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride (CID 117066897) is ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1(N2CCCCC2)CCCCC1.Cl.
What is the InChIKey of ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is IBGKULILLFAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.ClH/c1-2-17-13(16)14(9-5-3-6-10-14)15-11-7-4-8-12-15;/h2-12H2,1H3;1H.
What are the key properties of ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 117066897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).