1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide

C15H23N2O2+ — CID 9442881

IUPAC1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccccc1OCC[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-3-5-14(12)19-11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18)/p+1
InChIKeySWTFQZKQXXXBPI-UHFFFAOYSA-O
MW263.36 g/mol
LogP0.15
Rot. Bonds5

About 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide

1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide (PubChem CID 9442881) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
PubChem CID9442881
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccccc1OCC[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-3-5-14(12)19-11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18)/p+1
InChIKeySWTFQZKQXXXBPI-UHFFFAOYSA-O
XLogP0.15
TPSA56.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propoxy]benzoate
CID 42181320
1-[3-(3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide
CID 9443317
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
CID 2057428
1-[2-(4-bromo-2-methylphenoxy)ethyl]-4-methylpiperidin-1-ium
CID 7381409
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
1-(2-fluorophenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium
CID 8749090
1-[2-(2-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8748482
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8556648
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
CID 97007840
2-[4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile
CID 9286647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide (CID 9442881) is 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide is Cc1ccccc1OCC[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is SWTFQZKQXXXBPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-2-3-5-14(12)19-11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18)/p+1.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide?
1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9442881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).