1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium

C15H25N2+ — CID 144727162

IUPAC1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
SMILESCCC[N+]1(C)CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H25N2/c1-4-11-17(3)12-9-16(10-13-17)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3/q+1
InChIKeyASOJWWHLTLCNAZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.67
Rot. Bonds3

About 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium

1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium (PubChem CID 144727162) has the molecular formula C15H25N2+ and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
PubChem CID144727162
Molecular FormulaC15H25N2+
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium
SMILESCCC[N+]1(C)CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H25N2/c1-4-11-17(3)12-9-16(10-13-17)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3/q+1
InChIKeyASOJWWHLTLCNAZ-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]piperazin-1-ium
CID 118248907
1-methyl-4-(4-methylphenyl)-1-oxidopiperazin-1-ium
CID 59343298
8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 152824720
1-ethyl-4-phenyl-1-propylpiperazin-1-ium
CID 58063718
4-(4-ethyl-4-methyl-1,4-diazepan-4-ium-1-yl)phenol
CID 129256912
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
4-[4-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazin-4-ium-1-yl]aniline chloride
CID 18436431
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
2-[4-(4-amino-3-methylphenyl)-1-methyl-1,4-diazepan-1-ium-1-yl]ethanol
CID 23064332
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium?
The IUPAC name of 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium (CID 144727162) is 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium is CCC[N+]1(C)CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium?
The InChIKey is ASOJWWHLTLCNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2/c1-4-11-17(3)12-9-16(10-13-17)15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3/q+1.
What are the key properties of 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium?
1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium has a molecular weight of 233.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)-1-propylpiperazin-1-ium is sourced from PubChem (CID 144727162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).