ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride

C14H28ClNO2 — CID 134117967

IUPACethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)CCC1CCCCN1C.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-5-17-13(16)14(2,3)10-9-12-8-6-7-11-15(12)4;/h12H,5-11H2,1-4H3;1H
InChIKeyXZBKCIHMBQCJJI-UHFFFAOYSA-N
MW277.84 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride

ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride (PubChem CID 134117967) has the molecular formula C14H28ClNO2 and a molecular weight of 277.84 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride
PubChem CID134117967
Molecular FormulaC14H28ClNO2
Molecular Weight277.84 g/mol
Exact Mass277.18
IUPAC Nameethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)CCC1CCCCN1C.Cl
InChIInChI=1S/C14H27NO2.ClH/c1-5-17-13(16)14(2,3)10-9-12-8-6-7-11-15(12)4;/h12H,5-11H2,1-4H3;1H
InChIKeyXZBKCIHMBQCJJI-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
CID 119894079
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
sodium 3-(1-methylpiperidin-2-yl)propanoate
CID 172639720
ethyl 5-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]triazole-4-carboxylate
CID 103109421
3,5-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 107912359
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride?
The IUPAC name of ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride (CID 134117967) is ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride.
What is the SMILES notation for ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride?
The canonical SMILES for ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride is CCOC(=O)C(C)(C)CCC1CCCCN1C.Cl.
What is the InChIKey of ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride?
The InChIKey is XZBKCIHMBQCJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.ClH/c1-5-17-13(16)14(2,3)10-9-12-8-6-7-11-15(12)4;/h12H,5-11H2,1-4H3;1H.
What are the key properties of ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride?
ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-(1-methylpiperidin-2-yl)butanoate;hydrochloride is sourced from PubChem (CID 134117967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).