3-methoxy-1-(4-methylphenyl)piperidine

C13H19NO — CID 167437498

IUPAC3-methoxy-1-(4-methylphenyl)piperidine
SMILESCOC1CCCN(c2ccc(C)cc2)C1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyVAJHXVRNUUWKAP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.61
Rot. Bonds2

About 3-methoxy-1-(4-methylphenyl)piperidine

3-methoxy-1-(4-methylphenyl)piperidine (PubChem CID 167437498) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)piperidine
PubChem CID167437498
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methoxy-1-(4-methylphenyl)piperidine
SMILESCOC1CCCN(c2ccc(C)cc2)C1
InChIInChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyVAJHXVRNUUWKAP-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-phenylpiperidine
CID 70382121
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 114064308
1-(4-methylphenyl)azepan-3-amine
CID 84672656
1-[4-(chloromethyl)phenyl]-3-methoxypyrrolidine
CID 103535515
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)piperidine?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)piperidine (CID 167437498) is 3-methoxy-1-(4-methylphenyl)piperidine.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)piperidine?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)piperidine is COC1CCCN(c2ccc(C)cc2)C1.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)piperidine?
The InChIKey is VAJHXVRNUUWKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(10-14)15-2/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methylphenyl)piperidine?
3-methoxy-1-(4-methylphenyl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)piperidine is sourced from PubChem (CID 167437498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).