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

C16H32N2O2 — CID 83996099

IUPACethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-14-9-15(17-8-7-13(3)4)11-18(10-14)12-16(19)20-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyRVDVWOCNHTYBEP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.29
Rot. Bonds8

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

ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate (PubChem CID 83996099) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
PubChem CID83996099
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(CC)CC(NCCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-14-9-15(17-8-7-13(3)4)11-18(10-14)12-16(19)20-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyRVDVWOCNHTYBEP-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
1-(cyclobutylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996036
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996082
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate (CID 83996099) is ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate is CCOC(=O)CN1CC(CC)CC(NCCC(C)C)C1.
What is the InChIKey of ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate?
The InChIKey is RVDVWOCNHTYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-14-9-15(17-8-7-13(3)4)11-18(10-14)12-16(19)20-6-2/h13-15,17H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate?
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate has a molecular weight of 284.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83996099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).