ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate

C17H34N2O2 — CID 62122726

IUPACethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
SMILESCCCNC(C)(CCN1CCCC(C)C1C)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-11-18-17(5,16(20)21-7-2)10-13-19-12-8-9-14(3)15(19)4/h14-15,18H,6-13H2,1-5H3
InChIKeyRZILZZAVSGWLNU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

About ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate

ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate (PubChem CID 62122726) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
PubChem CID62122726
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
SMILESCCCNC(C)(CCN1CCCC(C)C1C)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-11-18-17(5,16(20)21-7-2)10-13-19-12-8-9-14(3)15(19)4/h14-15,18H,6-13H2,1-5H3
InChIKeyRZILZZAVSGWLNU-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propylamino)butanamide
CID 102728063
ethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)butanoate
CID 62973496
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoate
CID 66371370
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62329860
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806133
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanenitrile
CID 62124864
ethyl 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)propanoate
CID 63926194
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate (CID 62122726) is ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate is CCCNC(C)(CCN1CCCC(C)C1C)C(=O)OCC.
What is the InChIKey of ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate?
The InChIKey is RZILZZAVSGWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-11-18-17(5,16(20)21-7-2)10-13-19-12-8-9-14(3)15(19)4/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate?
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate is sourced from PubChem (CID 62122726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).