3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline

C15H24N2O2 — CID 107208575

IUPAC3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCC(C)C(OC)C1
InChIInChI=1S/C15H24N2O2/c1-11-6-7-17(10-15(11)19-3)9-12-4-5-13(16)8-14(12)18-2/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3
InChIKeyVDGLQSSYNQSHIL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds4

About 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline

3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline (PubChem CID 107208575) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
PubChem CID107208575
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCC(C)C(OC)C1
InChIInChI=1S/C15H24N2O2/c1-11-6-7-17(10-15(11)19-3)9-12-4-5-13(16)8-14(12)18-2/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3
InChIKeyVDGLQSSYNQSHIL-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
4-[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]aniline
CID 102963363
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
CID 102677741
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline (CID 107208575) is 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline is COc1cc(N)ccc1CN1CCC(C)C(OC)C1.
What is the InChIKey of 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is VDGLQSSYNQSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-6-7-17(10-15(11)19-3)9-12-4-5-13(16)8-14(12)18-2/h4-5,8,11,15H,6-7,9-10,16H2,1-3H3.
What are the key properties of 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline?
3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 107208575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).