methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate

C12H24N2O2 — CID 43307422

IUPACmethyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
SMILESCCN1CCC(C(C)NCC(=O)OC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-14-7-5-11(6-8-14)10(2)13-9-12(15)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyOMUZDSHQEYRLJD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate

methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate (PubChem CID 43307422) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
PubChem CID43307422
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate
SMILESCCN1CCC(C(C)NCC(=O)OC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-14-7-5-11(6-8-14)10(2)13-9-12(15)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyOMUZDSHQEYRLJD-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
CID 43310362
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,2-dimethoxyethanamine
CID 60816961
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
1-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 106249309
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate (CID 43307422) is methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate is CCN1CCC(C(C)NCC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate?
The InChIKey is OMUZDSHQEYRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14-7-5-11(6-8-14)10(2)13-9-12(15)16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate?
methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetate is sourced from PubChem (CID 43307422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).