2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline

C16H26N2O — CID 114592263

IUPAC2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
SMILESCOc1ccc(CN2CC(C)CC(C)C2C)cc1N
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)13(3)18(9-11)10-14-5-6-16(19-4)15(17)8-14/h5-6,8,11-13H,7,9-10,17H2,1-4H3
InChIKeyAPKVIDIERLGGJT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds3

About 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline

2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline (PubChem CID 114592263) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
PubChem CID114592263
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
SMILESCOc1ccc(CN2CC(C)CC(C)C2C)cc1N
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)13(3)18(9-11)10-14-5-6-16(19-4)15(17)8-14/h5-6,8,11-13H,7,9-10,17H2,1-4H3
InChIKeyAPKVIDIERLGGJT-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592331
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
2-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 107879532
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592305
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 114593539
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline (CID 114592263) is 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline is COc1ccc(CN2CC(C)CC(C)C2C)cc1N.
What is the InChIKey of 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline?
The InChIKey is APKVIDIERLGGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-12(2)13(3)18(9-11)10-14-5-6-16(19-4)15(17)8-14/h5-6,8,11-13H,7,9-10,17H2,1-4H3.
What are the key properties of 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline?
2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 114592263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).