methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate

C12H23NO2 — CID 23562718

IUPACmethyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-11-4-6-13(7-5-11)9-12(14)15-3/h10-11H,4-9H2,1-3H3
InChIKeyDOSFOOPHQJFIEM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds4

About methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate

methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate (PubChem CID 23562718) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate
PubChem CID23562718
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)8-11-4-6-13(7-5-11)9-12(14)15-3/h10-11H,4-9H2,1-3H3
InChIKeyDOSFOOPHQJFIEM-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate (CID 23562718) is methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate is COC(=O)CN1CCC(CC(C)C)CC1.
What is the InChIKey of methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate?
The InChIKey is DOSFOOPHQJFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-11-4-6-13(7-5-11)9-12(14)15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate?
methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate has a molecular weight of 213.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate is sourced from PubChem (CID 23562718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).