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

C15H24N2O — CID 115209615

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-8-13(5-6-15(12)18-2)9-17-11-14-4-3-7-16-10-14/h5-6,8,14,16-17H,3-4,7,9-11H2,1-2H3
InChIKeyGLNOOCWZPOYTPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds5

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

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 115209615) 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-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID115209615
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)cc1C
InChIInChI=1S/C15H24N2O/c1-12-8-13(5-6-15(12)18-2)9-17-11-14-4-3-7-16-10-14/h5-6,8,14,16-17H,3-4,7,9-11H2,1-2H3
InChIKeyGLNOOCWZPOYTPC-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-4-ylmethanamine
CID 115209928
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625212
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine (CID 115209615) is N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine is COc1ccc(CNCC2CCCNC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is GLNOOCWZPOYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-8-13(5-6-15(12)18-2)9-17-11-14-4-3-7-16-10-14/h5-6,8,14,16-17H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine?
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-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-3-ylmethanamine is sourced from PubChem (CID 115209615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).