N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine

C15H24N2O — CID 115209928

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(CNCC2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-9-14(3-4-15(12)18-2)11-17-10-13-5-7-16-8-6-13/h3-4,9,13,16-17H,5-8,10-11H2,1-2H3
InChIKeyWYJVPHZSPNXFEV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 115209928) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID115209928
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1ccc(CNCC2CCNCC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-9-14(3-4-15(12)18-2)11-17-10-13-5-7-16-8-6-13/h3-4,9,13,16-17H,5-8,10-11H2,1-2H3
InChIKeyWYJVPHZSPNXFEV-UHFFFAOYSA-N
XLogP2.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61206805
N-[(6-methylnaphthalen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 115209974
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155047
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine (CID 115209928) is N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine is COc1ccc(CNCC2CCNCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is WYJVPHZSPNXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-14(3-4-15(12)18-2)11-17-10-13-5-7-16-8-6-13/h3-4,9,13,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine?
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 115209928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).