bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol

C23H28N3O+ — CID 66561126

IUPACbis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cc[n+](C)cc2)cc1
InChIInChI=1S/C23H28N3O/c1-24(2)21-10-6-18(7-11-21)23(27,20-14-16-26(5)17-15-20)19-8-12-22(13-9-19)25(3)4/h6-17,27H,1-5H3/q+1
InChIKeyOXVFYAMCEOWGMH-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.93
Rot. Bonds5

About bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol

bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol (PubChem CID 66561126) has the molecular formula C23H28N3O+ and a molecular weight of 362.50 g/mol. Its IUPAC name is bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol.

Molecular Properties

Compound Namebis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol
PubChem CID66561126
Molecular FormulaC23H28N3O+
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Namebis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol
SMILESCN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cc[n+](C)cc2)cc1
InChIInChI=1S/C23H28N3O/c1-24(2)21-10-6-18(7-11-21)23(27,20-14-16-26(5)17-15-20)19-8-12-22(13-9-19)25(3)4/h6-17,27H,1-5H3/q+1
InChIKeyOXVFYAMCEOWGMH-UHFFFAOYSA-N
XLogP2.93
TPSA30.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol 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

bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
CID 11036914
[4-[bis(trimethylsilyl)amino]phenyl]-[4-(dimethylamino)phenyl]-phenylmethanol
CID 11340199
[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
CID 14324031
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517
1,1-bis[4-(dimethylamino)phenyl]pentan-1-ol
CID 2196857
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
N,N-dimethyl-4-[(1E,3E)-4-(1-methylpyridin-1-ium-4-yl)buta-1,3-dienyl]aniline iodide
CID 45488916
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341

Frequently Asked Questions

What is the IUPAC name of bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol?
The IUPAC name of bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol (CID 66561126) is bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol.
What is the SMILES notation for bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol?
The canonical SMILES for bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol is CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2cc[n+](C)cc2)cc1.
What is the InChIKey of bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol?
The InChIKey is OXVFYAMCEOWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N3O/c1-24(2)21-10-6-18(7-11-21)23(27,20-14-16-26(5)17-15-20)19-8-12-22(13-9-19)25(3)4/h6-17,27H,1-5H3/q+1.
What are the key properties of bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol?
bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol has a molecular weight of 362.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(dimethylamino)phenyl]-(1-methylpyridin-1-ium-4-yl)methanol is sourced from PubChem (CID 66561126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).