methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate

C12H24N2O2 — CID 83990197

IUPACmethyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
SMILESCCNC1CC(CC(=O)OC)CN(CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-11-6-10(7-12(15)16-3)8-14(5-2)9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyDNDLPKIAKRJFCK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate

methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate (PubChem CID 83990197) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
PubChem CID83990197
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
SMILESCCNC1CC(CC(=O)OC)CN(CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-13-11-6-10(7-12(15)16-3)8-14(5-2)9-11/h10-11,13H,4-9H2,1-3H3
InChIKeyDNDLPKIAKRJFCK-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-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
CID 83994946
3-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990202
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate (CID 83990197) is methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate is CCNC1CC(CC(=O)OC)CN(CC)C1.
What is the InChIKey of methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate?
The InChIKey is DNDLPKIAKRJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-13-11-6-10(7-12(15)16-3)8-14(5-2)9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate?
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]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-ethyl-5-(ethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83990197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).