(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

C17H30N2O+2 — CID 7377989

IUPAC(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOc1cc(C)c(C[NH+](C)C2CC[NH+](C)CC2)cc1C
InChIInChI=1S/C17H28N2O/c1-13-11-17(20-5)14(2)10-15(13)12-19(4)16-6-8-18(3)9-7-16/h10-11,16H,6-9,12H2,1-5H3/p+2
InChIKeyQMJLBLRTFUFKJP-UHFFFAOYSA-P
MW278.44 g/mol
LogP0.00
Rot. Bonds4

About (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 7377989) has the molecular formula C17H30N2O+2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID7377989
Molecular FormulaC17H30N2O+2
Molecular Weight278.44 g/mol
Exact Mass278.23
IUPAC Name(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOc1cc(C)c(C[NH+](C)C2CC[NH+](C)CC2)cc1C
InChIInChI=1S/C17H28N2O/c1-13-11-17(20-5)14(2)10-15(13)12-19(4)16-6-8-18(3)9-7-16/h10-11,16H,6-9,12H2,1-5H3/p+2
InChIKeyQMJLBLRTFUFKJP-UHFFFAOYSA-P
XLogP0.00
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-3-methylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 2173496
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 6942698
(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3635046
[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
CID 6938156
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-hept-3-ynyl-4-methoxy-2,5-dimethylbenzene
CID 83927830
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (CID 7377989) is (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is COc1cc(C)c(C[NH+](C)C2CC[NH+](C)CC2)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is QMJLBLRTFUFKJP-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H28N2O/c1-13-11-17(20-5)14(2)10-15(13)12-19(4)16-6-8-18(3)9-7-16/h10-11,16H,6-9,12H2,1-5H3/p+2.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
(4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 278.44 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 7377989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).