methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate

C16H32N2O3 — CID 63971026

IUPACmethyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
SMILESCCNC(C)(CCCN1CCC(COC)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)9-6-10-18-11-7-14(8-12-18)13-20-3/h14,17H,5-13H2,1-4H3
InChIKeyLTGPCCRLSIWUAY-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.67
Rot. Bonds9

About methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate

methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate (PubChem CID 63971026) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
PubChem CID63971026
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
SMILESCCNC(C)(CCCN1CCC(COC)CC1)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)9-6-10-18-11-7-14(8-12-18)13-20-3/h14,17H,5-13H2,1-4H3
InChIKeyLTGPCCRLSIWUAY-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 63973536
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62091812
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate?
The IUPAC name of methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate (CID 63971026) is methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate?
The canonical SMILES for methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate is CCNC(C)(CCCN1CCC(COC)CC1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate?
The InChIKey is LTGPCCRLSIWUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-17-16(2,15(19)21-4)9-6-10-18-11-7-14(8-12-18)13-20-3/h14,17H,5-13H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate?
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate is sourced from PubChem (CID 63971026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).