methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate

C14H28N2O2 — CID 83995396

IUPACmethyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C)CC(NCC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-12(15-10-14(2,3)4)8-16(7-11)9-13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyPBKLLMOFGPLSCT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds4

About methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate

methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate (PubChem CID 83995396) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
PubChem CID83995396
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C)CC(NCC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11-6-12(15-10-14(2,3)4)8-16(7-11)9-13(17)18-5/h11-12,15H,6-10H2,1-5H3
InChIKeyPBKLLMOFGPLSCT-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-aminopiperidin-1-yl)acetate dihydrochloride
CID 75527804
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580
Methyl 2-(ethylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530244
Ethyl 2-(ethylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530441
Ethyl 2-(propylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530633
Ethyl 2-(propan-2-ylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530634
Methyl 2-(propylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531213
Methyl 2-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531407
Ethyl 2-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531408
Methyl 2-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate (CID 83995396) is methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate is COC(=O)CN1CC(C)CC(NCC(C)(C)C)C1.
What is the InChIKey of methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate?
The InChIKey is PBKLLMOFGPLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-12(15-10-14(2,3)4)8-16(7-11)9-13(17)18-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate?
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate is sourced from PubChem (CID 83995396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).