methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate

C13H23NO2 — CID 58553187

IUPACmethyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate
SMILESC=C(CCC)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C13H23NO2/c1-4-5-11(2)14-8-6-12(7-9-14)10-13(15)16-3/h12H,2,4-10H2,1,3H3
InChIKeyJVHJRKCHPDJXJE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.58
Rot. Bonds5

About methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate

methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate (PubChem CID 58553187) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate
PubChem CID58553187
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate
SMILESC=C(CCC)N1CCC(CC(=O)OC)CC1
InChIInChI=1S/C13H23NO2/c1-4-5-11(2)14-8-6-12(7-9-14)10-13(15)16-3/h12H,2,4-10H2,1,3H3
InChIKeyJVHJRKCHPDJXJE-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate (CID 58553187) is methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate is C=C(CCC)N1CCC(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate?
The InChIKey is JVHJRKCHPDJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-11(2)14-8-6-12(7-9-14)10-13(15)16-3/h12H,2,4-10H2,1,3H3.
What are the key properties of methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate?
methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate has a molecular weight of 225.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-pent-1-en-2-ylpiperidin-4-yl)acetate is sourced from PubChem (CID 58553187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).