ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate

C15H30N2O2 — CID 64727597

IUPACethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
SMILESCCNC(C)(CC(C)N1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-5-16-15(4,14(18)19-6-2)12-13(3)17-10-8-7-9-11-17/h13,16H,5-12H2,1-4H3
InChIKeyVDAMZYYACJAXIA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate

ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate (PubChem CID 64727597) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
PubChem CID64727597
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
SMILESCCNC(C)(CC(C)N1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-5-16-15(4,14(18)19-6-2)12-13(3)17-10-8-7-9-11-17/h13,16H,5-12H2,1-4H3
InChIKeyVDAMZYYACJAXIA-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentanoate
CID 64705542
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanoate
CID 64705259
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 79184110
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate (CID 64727597) is ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate is CCNC(C)(CC(C)N1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate?
The InChIKey is VDAMZYYACJAXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16-15(4,14(18)19-6-2)12-13(3)17-10-8-7-9-11-17/h13,16H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate?
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate is sourced from PubChem (CID 64727597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).