ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate

C12H23NO2 — CID 62922576

IUPACethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO2/c1-4-15-11(14)5-8-13-9-6-12(2,3)7-10-13/h4-10H2,1-3H3
InChIKeyODBNBPAWAMMCRE-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate

ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate (PubChem CID 62922576) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
PubChem CID62922576
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO2/c1-4-15-11(14)5-8-13-9-6-12(2,3)7-10-13/h4-10H2,1-3H3
InChIKeyODBNBPAWAMMCRE-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 3-[4-(trifluoromethyl)piperazin-1-yl]propanoate
CID 174410956
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
CID 107393414
tert-butyl 3-(4,4-dimethylazepan-1-yl)propanoate
CID 113241454
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate (CID 62922576) is ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate is CCOC(=O)CCN1CCC(C)(C)CC1.
What is the InChIKey of ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate?
The InChIKey is ODBNBPAWAMMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-11(14)5-8-13-9-6-12(2,3)7-10-13/h4-10H2,1-3H3.
What are the key properties of ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate?
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 62922576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).