2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol

C23H33N3O — CID 3145415

IUPAC2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol
SMILESCC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1O
InChIInChI=1S/C23H33N3O/c1-15-21(17-7-11-19(12-8-17)25(3)4)24-22(16(2)23(15)27)18-9-13-20(14-10-18)26(5)6/h7-16,21-24,27H,1-6H3
InChIKeyQTSVDXZTCFEZTA-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.84
Rot. Bonds4

About 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol

2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol (PubChem CID 3145415) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol
PubChem CID3145415
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol
SMILESCC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1O
InChIInChI=1S/C23H33N3O/c1-15-21(17-7-11-19(12-8-17)25(3)4)24-22(16(2)23(15)27)18-9-13-20(14-10-18)26(5)6/h7-16,21-24,27H,1-6H3
InChIKeyQTSVDXZTCFEZTA-UHFFFAOYSA-N
XLogP3.84
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[2-(4-phenyl-2-propan-2-yloxan-4-yl)ethylamino]methyl]aniline
CID 2946332
(R)-2-amino-3-(4-octylphenylamino)propan-1-ol
CID 45255203
N,N-dimethyl-4-[[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethylamino]methyl]aniline
CID 2965336
1-p-Aminophenyl-2-(4-benzyl-piperidin-1-yl)-propan-1-ol
CID 22449936
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
(R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)propan-2-ol
CID 44574883
(2R,3S)-2-((4-octylphenylamino)methyl)pyrrolidin-3-ol
CID 45255202

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol?
The IUPAC name of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol (CID 3145415) is 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol is CC1C(c2ccc(N(C)C)cc2)NC(c2ccc(N(C)C)cc2)C(C)C1O.
What is the InChIKey of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol?
The InChIKey is QTSVDXZTCFEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-15-21(17-7-11-19(12-8-17)25(3)4)24-22(16(2)23(15)27)18-9-13-20(14-10-18)26(5)6/h7-16,21-24,27H,1-6H3.
What are the key properties of 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol?
2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol has a molecular weight of 367.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(dimethylamino)phenyl]-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 3145415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).