methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride

C13H27ClN2O2 — CID 120837971

IUPACmethyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
SMILESCNC1CCCN(CCC(C)(C)C(=O)OC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-9-15-8-5-6-11(10-15)14-3;/h11,14H,5-10H2,1-4H3;1H
InChIKeyBJEDIABOHUHDLI-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.68
Rot. Bonds5

About methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride

methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride (PubChem CID 120837971) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
PubChem CID120837971
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Namemethyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
SMILESCNC1CCCN(CCC(C)(C)C(=O)OC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-9-15-8-5-6-11(10-15)14-3;/h11,14H,5-10H2,1-4H3;1H
InChIKeyBJEDIABOHUHDLI-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-aminopiperidin-1-yl)-2,2-dimethylbutanoate;hydrochloride
CID 120834476
methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
CID 120843527
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
1-(3-methoxy-2,2-dimethylpropyl)-N-methylpiperidin-3-amine
CID 120838017
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
1-butyl-N-methylpiperidin-3-amine
CID 62534430

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride?
The IUPAC name of methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride (CID 120837971) is methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride.
What is the SMILES notation for methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride?
The canonical SMILES for methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride is CNC1CCCN(CCC(C)(C)C(=O)OC)C1.Cl.
What is the InChIKey of methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride?
The InChIKey is BJEDIABOHUHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-13(2,12(16)17-4)7-9-15-8-5-6-11(10-15)14-3;/h11,14H,5-10H2,1-4H3;1H.
What are the key properties of methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride?
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride is sourced from PubChem (CID 120837971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).