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

C14H22N2O2 — CID 107208226

IUPAC3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCC(OC)CC1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-7-16(8-6-13)10-11-3-4-12(15)9-14(11)18-2/h3-4,9,13H,5-8,10,15H2,1-2H3
InChIKeyNUZVKGONXUQSEX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds4

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

3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline (PubChem CID 107208226) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
PubChem CID107208226
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)ccc1CN1CCC(OC)CC1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-7-16(8-6-13)10-11-3-4-12(15)9-14(11)18-2/h3-4,9,13H,5-8,10,15H2,1-2H3
InChIKeyNUZVKGONXUQSEX-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.89
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-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
CID 107208575
4-bromo-3-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 113281282
4-[(4-methoxypiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 81118061
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3-(trifluoromethyl)aniline
CID 164559846
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-methoxyaniline
CID 107208571

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline?
The IUPAC name of 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline (CID 107208226) is 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline is COc1cc(N)ccc1CN1CCC(OC)CC1.
What is the InChIKey of 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline?
The InChIKey is NUZVKGONXUQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-5-7-16(8-6-13)10-11-3-4-12(15)9-14(11)18-2/h3-4,9,13H,5-8,10,15H2,1-2H3.
What are the key properties of 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline?
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 107208226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).