[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate

C14H25NO3 — CID 18674800

IUPAC[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate
SMILESC=CCCC(OC)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C14H25NO3/c1-5-6-7-13(17-4)12-10-15(3)9-8-14(12)18-11(2)16/h5,12-14H,1,6-10H2,2-4H3
InChIKeyOXRCQBZJIVPYOU-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.85
Rot. Bonds6

About [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate

[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate (PubChem CID 18674800) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate
PubChem CID18674800
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate
SMILESC=CCCC(OC)C1CN(C)CCC1OC(C)=O
InChIInChI=1S/C14H25NO3/c1-5-6-7-13(17-4)12-10-15(3)9-8-14(12)18-11(2)16/h5,12-14H,1,6-10H2,2-4H3
InChIKeyOXRCQBZJIVPYOU-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate?
The IUPAC name of [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate (CID 18674800) is [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate.
What is the SMILES notation for [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate?
The canonical SMILES for [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate is C=CCCC(OC)C1CN(C)CCC1OC(C)=O.
What is the InChIKey of [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate?
The InChIKey is OXRCQBZJIVPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-7-13(17-4)12-10-15(3)9-8-14(12)18-11(2)16/h5,12-14H,1,6-10H2,2-4H3.
What are the key properties of [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate?
[3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate has a molecular weight of 255.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxypent-4-enyl)-1-methylpiperidin-4-yl] acetate is sourced from PubChem (CID 18674800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).