2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate

C17H34N2O2 — CID 91100715

IUPAC2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate
SMILESCCCC(C)NC(C)(C)CC(=O)OCCN1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-5-9-15(2)18-17(3,4)14-16(20)21-13-12-19-10-7-6-8-11-19/h15,18H,5-14H2,1-4H3
InChIKeyITGSEBRZQKGHGH-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.96
Rot. Bonds9

About 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate

2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate (PubChem CID 91100715) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate
PubChem CID91100715
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate
SMILESCCCC(C)NC(C)(C)CC(=O)OCCN1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-5-9-15(2)18-17(3,4)14-16(20)21-13-12-19-10-7-6-8-11-19/h15,18H,5-14H2,1-4H3
InChIKeyITGSEBRZQKGHGH-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidin-1-ium-1-ylethyl 2-methylbutanoate
CID 20697105
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-(chloroamino)-3-methylbutanoate chloride
CID 46198673
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-(chloroamino)-3-methylbutanoate
CID 46198674
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-amino-3-methylbutanoate
CID 60134578
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-amino-3-methylbutanoate;hydrochloride
CID 67309824
3-Piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride
CID 67309825
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-(ethylamino)butanoate;hydrochloride
CID 67318289
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-amino-3-methylpentanoate;hydrochloride
CID 67318293
[1-(4-methylpentyl)piperidin-4-yl] (2S)-2-amino-3-methylbutanoate
CID 68170450
Ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate
CID 70459372
2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-methyl-3-(methylamino)butanoate
CID 70887235
Ethyl 2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]butanoate
CID 122453945

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate?
The IUPAC name of 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate (CID 91100715) is 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate is CCCC(C)NC(C)(C)CC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate?
The InChIKey is ITGSEBRZQKGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-9-15(2)18-17(3,4)14-16(20)21-13-12-19-10-7-6-8-11-19/h15,18H,5-14H2,1-4H3.
What are the key properties of 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate?
2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate has a molecular weight of 298.47 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 3-methyl-3-(pentan-2-ylamino)butanoate is sourced from PubChem (CID 91100715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).