ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride

C15H28ClNO2 — CID 117066918

IUPACethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N2CCCCC2)CCCCC1C.Cl
InChIInChI=1S/C15H27NO2.ClH/c1-3-18-14(17)15(10-6-5-9-13(15)2)16-11-7-4-8-12-16;/h13H,3-12H2,1-2H3;1H
InChIKeyJTUTWJVFBYHHOU-UHFFFAOYSA-N
MW289.85 g/mol
LogP3.41
Rot. Bonds3

About ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride

ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride (PubChem CID 117066918) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
PubChem CID117066918
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC Nameethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(N2CCCCC2)CCCCC1C.Cl
InChIInChI=1S/C15H27NO2.ClH/c1-3-18-14(17)15(10-6-5-9-13(15)2)16-11-7-4-8-12-16;/h13H,3-12H2,1-2H3;1H
InChIKeyJTUTWJVFBYHHOU-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 1-(1,4-diazepan-1-yl)-2-methoxycyclohexane-1-carboxylate
CID 106873028
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64527605
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783
1-(1,4-diazepan-1-yl)-2-methylcyclohexane-1-carboxylic acid
CID 54890527
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 43803402
ethyl 1-cyclohexylsulfanylcyclobutane-1-carboxylate
CID 58287574
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride (CID 117066918) is ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1(N2CCCCC2)CCCCC1C.Cl.
What is the InChIKey of ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
The InChIKey is JTUTWJVFBYHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2.ClH/c1-3-18-14(17)15(10-6-5-9-13(15)2)16-11-7-4-8-12-16;/h13H,3-12H2,1-2H3;1H.
What are the key properties of ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride?
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 117066918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).