ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride

C11H22ClNO2 — CID 132992939

IUPACethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCNCC1(C)C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-4-14-10(13)7-9-5-6-12-8-11(9,2)3;/h9,12H,4-8H2,1-3H3;1H
InChIKeyHDRXZKJRMBFBJQ-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride

ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride (PubChem CID 132992939) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
PubChem CID132992939
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCNCC1(C)C.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-4-14-10(13)7-9-5-6-12-8-11(9,2)3;/h9,12H,4-8H2,1-3H3;1H
InChIKeyHDRXZKJRMBFBJQ-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl nipecotate
CID 98969
Methyl 4-piperidineacetate
CID 1515259
ethyl (3R)-piperidine-3-carboxylate
CID 185582
Ethyl (3S)-piperidine-3-carboxylate
CID 187784
Ethyl 2-(piperidin-4-yl)acetate
CID 2760465
Methyl (piperidin-4-yl)acetate--hydrogen chloride (1/1)
CID 18423605
Tert-butyl 2-(piperidin-4-yl)acetate
CID 23511620
Ethyl (3R)-piperidine-3-carboxylate--hydrogen chloride (1/1)
CID 44828658
Piperidin-4-yl-acetic acid ethyl ester hydrochloride
CID 45358839
2-(Piperidin-4-yl)propanoic acid hydrochloride
CID 47000778
Ethyl 2-methyl-2-(piperidin-4-yl)propanoate hydrochloride
CID 49759623
3-Piperidinecarboxylic acid, 3-methyl-, methyl ester
CID 53211735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride (CID 132992939) is ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride is CCOC(=O)CC1CCNCC1(C)C.Cl.
What is the InChIKey of ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride?
The InChIKey is HDRXZKJRMBFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-4-14-10(13)7-9-5-6-12-8-11(9,2)3;/h9,12H,4-8H2,1-3H3;1H.
What are the key properties of ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride?
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride is sourced from PubChem (CID 132992939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).