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

C17H34N2O2 — CID 83996101

IUPACethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(NCCC(C)C)CC(C(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-21-17(20)12-19-10-15(14(4)5)9-16(11-19)18-8-7-13(2)3/h13-16,18H,6-12H2,1-5H3
InChIKeyLKVRJSMFHQIXAG-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.53
Rot. Bonds8

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

ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate (PubChem CID 83996101) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
PubChem CID83996101
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CC(NCCC(C)C)CC(C(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-21-17(20)12-19-10-15(14(4)5)9-16(11-19)18-8-7-13(2)3/h13-16,18H,6-12H2,1-5H3
InChIKeyLKVRJSMFHQIXAG-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992628
Methyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992629
Methyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992631
Ethyl 2-[3-methyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992637
Ethyl 2-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992638
Ethyl 2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992639
Ethyl 2-[3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 83992640
Methyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993322
Methyl 2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetate
CID 83993323
Methyl 2-[3-(2,2-difluoroethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83993325
Ethyl 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]acetate
CID 83993331
Ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate (CID 83996101) is ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate is CCOC(=O)CN1CC(NCCC(C)C)CC(C(C)C)C1.
What is the InChIKey of ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The InChIKey is LKVRJSMFHQIXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-21-17(20)12-19-10-15(14(4)5)9-16(11-19)18-8-7-13(2)3/h13-16,18H,6-12H2,1-5H3.
What are the key properties of ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate has a molecular weight of 298.47 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate is sourced from PubChem (CID 83996101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).