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

C14H22N2O2 — CID 57021873

IUPAC4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
SMILESCOc1ccc(N)cc1OCC1CCCN(C)C1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-11(9-16)10-18-14-8-12(15)5-6-13(14)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyLFBIZYRGCGLVAH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds4

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

4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline (PubChem CID 57021873) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline.

Molecular Properties

Compound Name4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
PubChem CID57021873
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline
SMILESCOc1ccc(N)cc1OCC1CCCN(C)C1
InChIInChI=1S/C14H22N2O2/c1-16-7-3-4-11(9-16)10-18-14-8-12(15)5-6-13(14)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyLFBIZYRGCGLVAH-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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

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CID 69082020
4-methoxy-3-(oxolan-3-ylmethoxy)aniline
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4-methoxy-3-(oxan-2-ylmethoxy)aniline
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4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
3-(cyclopropylmethoxy)-4,5-dimethoxyaniline
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3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
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4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
CID 122185342
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline?
The IUPAC name of 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline (CID 57021873) is 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline.
What is the SMILES notation for 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline?
The canonical SMILES for 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline is COc1ccc(N)cc1OCC1CCCN(C)C1.
What is the InChIKey of 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline?
The InChIKey is LFBIZYRGCGLVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-7-3-4-11(9-16)10-18-14-8-12(15)5-6-13(14)17-2/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline?
4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline has a molecular weight of 250.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-methylpiperidin-3-yl)methoxy]aniline is sourced from PubChem (CID 57021873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).