1-butyl-4-methoxypiperidine

C10H20NO- — CID 58602973

IUPAC1-butyl-4-methoxypiperidine
SMILES[CH2-]CCCN1CCC(OC)CC1
InChIInChI=1S/C10H20NO/c1-3-4-7-11-8-5-10(12-2)6-9-11/h10H,1,3-9H2,2H3/q-1
InChIKeyAKSYAQPYCLIHHH-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.71
Rot. Bonds4

About 1-butyl-4-methoxypiperidine

1-butyl-4-methoxypiperidine (PubChem CID 58602973) has the molecular formula C10H20NO- and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-butyl-4-methoxypiperidine.

Molecular Properties

Compound Name1-butyl-4-methoxypiperidine
PubChem CID58602973
Molecular FormulaC10H20NO-
Molecular Weight170.28 g/mol
Exact Mass170.16
IUPAC Name1-butyl-4-methoxypiperidine
SMILES[CH2-]CCCN1CCC(OC)CC1
InChIInChI=1S/C10H20NO/c1-3-4-7-11-8-5-10(12-2)6-9-11/h10H,1,3-9H2,2H3/q-1
InChIKeyAKSYAQPYCLIHHH-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-4-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methoxypiperidine?
The IUPAC name of 1-butyl-4-methoxypiperidine (CID 58602973) is 1-butyl-4-methoxypiperidine.
What is the SMILES notation for 1-butyl-4-methoxypiperidine?
The canonical SMILES for 1-butyl-4-methoxypiperidine is [CH2-]CCCN1CCC(OC)CC1.
What is the InChIKey of 1-butyl-4-methoxypiperidine?
The InChIKey is AKSYAQPYCLIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-3-4-7-11-8-5-10(12-2)6-9-11/h10H,1,3-9H2,2H3/q-1.
What are the key properties of 1-butyl-4-methoxypiperidine?
1-butyl-4-methoxypiperidine has a molecular weight of 170.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methoxypiperidine is sourced from PubChem (CID 58602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).