1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium

C14H22NO+ — CID 7321439

IUPAC1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
SMILESCOc1ccccc1C[NH+]1CCC(C)CC1
InChIInChI=1S/C14H21NO/c1-12-7-9-15(10-8-12)11-13-5-3-4-6-14(13)16-2/h3-6,12H,7-11H2,1-2H3/p+1
InChIKeyKTZSYMHGXWYJFL-UHFFFAOYSA-O
MW220.34 g/mol
LogP1.51
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium

1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium (PubChem CID 7321439) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
PubChem CID7321439
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
SMILESCOc1ccccc1C[NH+]1CCC(C)CC1
InChIInChI=1S/C14H21NO/c1-12-7-9-15(10-8-12)11-13-5-3-4-6-14(13)16-2/h3-6,12H,7-11H2,1-2H3/p+1
InChIKeyKTZSYMHGXWYJFL-UHFFFAOYSA-O
XLogP1.51
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
CID 7297807
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
CID 7366693
1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6941527
1-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium
CID 4743046
[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol
CID 2223740
1-[(2-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 4172100
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 4745687
[2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]methanol
CID 7380355
1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948179
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120
1-[(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4755340

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium (CID 7321439) is 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium is COc1ccccc1C[NH+]1CCC(C)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium?
The InChIKey is KTZSYMHGXWYJFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO/c1-12-7-9-15(10-8-12)11-13-5-3-4-6-14(13)16-2/h3-6,12H,7-11H2,1-2H3/p+1.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium?
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium has a molecular weight of 220.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium is sourced from PubChem (CID 7321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).