methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate

C14H28N2O2 — CID 63055247

IUPACmethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
SMILESCCNC(CCN1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-5-15-12(13(17)18-4)6-9-16-10-7-14(2,3)8-11-16/h12,15H,5-11H2,1-4H3
InChIKeySMKQEXWXZPZTJC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate

methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate (PubChem CID 63055247) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
PubChem CID63055247
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
SMILESCCNC(CCN1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-5-15-12(13(17)18-4)6-9-16-10-7-14(2,3)8-11-16/h12,15H,5-11H2,1-4H3
InChIKeySMKQEXWXZPZTJC-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
methyl 4-(4-butan-2-ylpiperazin-1-yl)-2-(ethylamino)butanoate
CID 63054877
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791854
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
2-(cyclopropylamino)-4-(4,4-dimethylpiperidin-1-yl)butanoic acid
CID 63055407

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate (CID 63055247) is methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate is CCNC(CCN1CCC(C)(C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate?
The InChIKey is SMKQEXWXZPZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-15-12(13(17)18-4)6-9-16-10-7-14(2,3)8-11-16/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate?
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate is sourced from PubChem (CID 63055247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).