N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine

C16H26N2O — CID 62120152

IUPACN-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(OC)CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-12-14-5-6-16(13(2)11-14)18-9-7-15(19-3)8-10-18/h5-6,11,15,17H,4,7-10,12H2,1-3H3
InChIKeyANTHVANANLADOC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine

N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine (PubChem CID 62120152) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
PubChem CID62120152
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(OC)CC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-12-14-5-6-16(13(2)11-14)18-9-7-15(19-3)8-10-18/h5-6,11,15,17H,4,7-10,12H2,1-3H3
InChIKeyANTHVANANLADOC-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
CID 62120512
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methyl]ethanamine
CID 62121210
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
N-[[4-(4-butan-2-ylpiperazin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62775219
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
CID 102744803

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine (CID 62120152) is N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(N2CCC(OC)CC2)c(C)c1.
What is the InChIKey of N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is ANTHVANANLADOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-12-14-5-6-16(13(2)11-14)18-9-7-15(19-3)8-10-18/h5-6,11,15,17H,4,7-10,12H2,1-3H3.
What are the key properties of N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 62120152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).