methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate

C14H27NO2 — CID 103498157

IUPACmethyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(C)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)13-6-8-15(9-7-13)12(4)11(3)14(16)17-5/h10-13H,6-9H2,1-5H3
InChIKeyJMTKLIDWXSTKHO-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate

methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate (PubChem CID 103498157) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
PubChem CID103498157
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(C)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-10(2)13-6-8-15(9-7-13)12(4)11(3)14(16)17-5/h10-13H,6-9H2,1-5H3
InChIKeyJMTKLIDWXSTKHO-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate (CID 103498157) is methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate is COC(=O)C(C)C(C)N1CCC(C(C)C)CC1.
What is the InChIKey of methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate?
The InChIKey is JMTKLIDWXSTKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)13-6-8-15(9-7-13)12(4)11(3)14(16)17-5/h10-13H,6-9H2,1-5H3.
What are the key properties of methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate?
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate has a molecular weight of 241.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate is sourced from PubChem (CID 103498157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).