methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium

C17H30N2+2 — CID 6939710

IUPACmethyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5-8,14,17H,9-13H2,1-4H3/p+2
InChIKeyFCYLYAKQXGCECA-UHFFFAOYSA-P
MW262.44 g/mol
LogP0.50
Rot. Bonds4

About methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium

methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 6939710) has the molecular formula C17H30N2+2 and a molecular weight of 262.44 g/mol. Its IUPAC name is methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID6939710
Molecular FormulaC17H30N2+2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5-8,14,17H,9-13H2,1-4H3/p+2
InChIKeyFCYLYAKQXGCECA-UHFFFAOYSA-P
XLogP0.50
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium (CID 6939710) is methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)C2CC[NH+](C)CC2)cc1.
What is the InChIKey of methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is FCYLYAKQXGCECA-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H28N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5-8,14,17H,9-13H2,1-4H3/p+2.
What are the key properties of methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium?
methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 262.44 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 6939710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).