N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine

C16H26N2O — CID 115209939

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1cc(C)c(CNCC2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-16(19-3)13(2)8-15(12)11-18-10-14-4-6-17-7-5-14/h8-9,14,17-18H,4-7,10-11H2,1-3H3
InChIKeyZTZVIJJNUJKNQK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 115209939) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID115209939
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCOc1cc(C)c(CNCC2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-16(19-3)13(2)8-15(12)11-18-10-14-4-6-17-7-5-14/h8-9,14,17-18H,4-7,10-11H2,1-3H3
InChIKeyZTZVIJJNUJKNQK-UHFFFAOYSA-N
XLogP2.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
CID 115209940
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
CID 115232862
1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
4-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclohexan-1-one
CID 115240154

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine (CID 115209939) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine is COc1cc(C)c(CNCC2CCNCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is ZTZVIJJNUJKNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-16(19-3)13(2)8-15(12)11-18-10-14-4-6-17-7-5-14/h8-9,14,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 115209939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).