1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine

C13H25NO2 — CID 177036711

IUPAC1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine
SMILESC=C(CC)N1CCC(OCCCOC)CC1
InChIInChI=1S/C13H25NO2/c1-4-12(2)14-8-6-13(7-9-14)16-11-5-10-15-3/h13H,2,4-11H2,1,3H3
InChIKeyIYOBQDGODLJTDE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.43
Rot. Bonds7

About 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine

1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine (PubChem CID 177036711) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine
PubChem CID177036711
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine
SMILESC=C(CC)N1CCC(OCCCOC)CC1
InChIInChI=1S/C13H25NO2/c1-4-12(2)14-8-6-13(7-9-14)16-11-5-10-15-3/h13H,2,4-11H2,1,3H3
InChIKeyIYOBQDGODLJTDE-UHFFFAOYSA-N
XLogP2.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine?
The IUPAC name of 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine (CID 177036711) is 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine?
The canonical SMILES for 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine is C=C(CC)N1CCC(OCCCOC)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine?
The InChIKey is IYOBQDGODLJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12(2)14-8-6-13(7-9-14)16-11-5-10-15-3/h13H,2,4-11H2,1,3H3.
What are the key properties of 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine?
1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine has a molecular weight of 227.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(3-methoxypropoxy)piperidine is sourced from PubChem (CID 177036711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).