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

C14H28N2O2 — CID 83994184

IUPACmethyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
SMILESCCN1CC(CC(=O)OC)CC(NCC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-16-9-12(7-14(17)18-4)6-13(10-16)15-8-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQOEMWLCRCPCHAP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds6

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

methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate (PubChem CID 83994184) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
PubChem CID83994184
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
SMILESCCN1CC(CC(=O)OC)CC(NCC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-5-16-9-12(7-14(17)18-4)6-13(10-16)15-8-11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQOEMWLCRCPCHAP-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate (CID 83994184) is methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate is CCN1CC(CC(=O)OC)CC(NCC(C)C)C1.
What is the InChIKey of methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
The InChIKey is QOEMWLCRCPCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16-9-12(7-14(17)18-4)6-13(10-16)15-8-11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate?
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.51, 6 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-(2-methylpropylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).