1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol

C28H29NO — CID 3127163

IUPAC1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESCC1C(c2ccccc2)N(C)C(c2ccccc2)C(C)C1(O)C#Cc1ccccc1
InChIInChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3
InChIKeyHMVLFUWQWMPWKQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.47
Rot. Bonds2

About 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol

1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol (PubChem CID 3127163) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol.

Molecular Properties

Compound Name1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
PubChem CID3127163
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESCC1C(c2ccccc2)N(C)C(c2ccccc2)C(C)C1(O)C#Cc1ccccc1
InChIInChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3
InChIKeyHMVLFUWQWMPWKQ-UHFFFAOYSA-N
XLogP5.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol 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

1-(1-Phenylcyclohexyl)-4-phenyl-4-piperidinol
CID 131754
Dexclamol
CID 91267
1-(Dio-tolylmethyl)-4-phenylpiperidin-4-ol
CID 9820782
4-Phenyl-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
CID 9863568
1-Benzhydryl-4-p-tolylpiperidin-4-ol
CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
1-Benzhydryl-4-o-tolylpiperidin-4-ol
CID 20481138
1-Benzhydryl-4-butylpiperidin-4-ol
CID 22970051
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806
4-Phenyl-1-(1-phenylbutyl)piperidin-4-ol
CID 44426807
4-Phenyl-1-(1-phenylpentyl)piperidin-4-ol
CID 44426808

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The IUPAC name of 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol (CID 3127163) is 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol.
What is the SMILES notation for 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The canonical SMILES for 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol is CC1C(c2ccccc2)N(C)C(c2ccccc2)C(C)C1(O)C#Cc1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The InChIKey is HMVLFUWQWMPWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c1-21-26(24-15-9-5-10-16-24)29(3)27(25-17-11-6-12-18-25)22(2)28(21,30)20-19-23-13-7-4-8-14-23/h4-18,21-22,26-27,30H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol has a molecular weight of 395.55 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol is sourced from PubChem (CID 3127163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).