ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate

C16H32N2O2 — CID 64727965

IUPACethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)12-14(4)18-10-8-13(3)9-11-18/h13-14,17H,6-12H2,1-5H3
InChIKeyMCQKYVMZSRXWAG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds7

About ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate

ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate (PubChem CID 64727965) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
PubChem CID64727965
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
SMILESCCNC(C)(CC(C)N1CCC(C)CC1)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)12-14(4)18-10-8-13(3)9-11-18/h13-14,17H,6-12H2,1-5H3
InChIKeyMCQKYVMZSRXWAG-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
ethyl 2-(ethylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanoate
CID 64707958
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62329860
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 79184110
ethyl 2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanoate
CID 64711971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate (CID 64727965) is ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate is CCNC(C)(CC(C)N1CCC(C)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate?
The InChIKey is MCQKYVMZSRXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-17-16(5,15(19)20-7-2)12-14(4)18-10-8-13(3)9-11-18/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate?
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 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-(4-methylpiperidin-1-yl)pentanoate is sourced from PubChem (CID 64727965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).