ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride

C13H26ClNO2 — CID 141274958

IUPACethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(CC(C)C)CCN(C)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13;/h11H,5-10H2,1-4H3;1H
InChIKeyUHBKAHLOYHHHMK-UHFFFAOYSA-N
MW263.81 g/mol
LogP2.73
Rot. Bonds4

About ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride

ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 141274958) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride
PubChem CID141274958
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Nameethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(CC(C)C)CCN(C)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13;/h11H,5-10H2,1-4H3;1H
InChIKeyUHBKAHLOYHHHMK-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride (CID 141274958) is ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(CC(C)C)CCN(C)CC1.Cl.
What is the InChIKey of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is UHBKAHLOYHHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.ClH/c1-5-16-12(15)13(10-11(2)3)6-8-14(4)9-7-13;/h11H,5-10H2,1-4H3;1H.
What are the key properties of ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride?
ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 141274958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).