[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol

C26H31N3O — CID 10525106

IUPAC[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol
SMILESCN1CCN(c2ccc(C(O)(c3ccccc3)c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C26H31N3O/c1-27(2)24-13-9-22(10-14-24)26(30,21-7-5-4-6-8-21)23-11-15-25(16-12-23)29-19-17-28(3)18-20-29/h4-16,30H,17-20H2,1-3H3
InChIKeyAVZYNQMLUJIOIX-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.79
Rot. Bonds5

About [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol

[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol (PubChem CID 10525106) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol
PubChem CID10525106
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol
SMILESCN1CCN(c2ccc(C(O)(c3ccccc3)c3ccc(N(C)C)cc3)cc2)CC1
InChIInChI=1S/C26H31N3O/c1-27(2)24-13-9-22(10-14-24)26(30,21-7-5-4-6-8-21)23-11-15-25(16-12-23)29-19-17-28(3)18-20-29/h4-16,30H,17-20H2,1-3H3
InChIKeyAVZYNQMLUJIOIX-UHFFFAOYSA-N
XLogP3.79
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-diphenylmethanol
CID 11036914
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
CID 14324031
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylaniline
CID 110454622
4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 155453460

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol (CID 10525106) is [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol is CN1CCN(c2ccc(C(O)(c3ccccc3)c3ccc(N(C)C)cc3)cc2)CC1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol?
The InChIKey is AVZYNQMLUJIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-27(2)24-13-9-22(10-14-24)26(30,21-7-5-4-6-8-21)23-11-15-25(16-12-23)29-19-17-28(3)18-20-29/h4-16,30H,17-20H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol?
[4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol has a molecular weight of 401.55 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(4-methylpiperazin-1-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 10525106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).