(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol

C27H27NO — CID 7108613

IUPAC(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1
InChIInChI=1S/C27H27NO/c1-20-25(23-14-8-4-9-15-23)28-26(24-16-10-5-11-17-24)21(2)27(20,29)19-18-22-12-6-3-7-13-22/h3-17,20-21,25-26,28-29H,1-2H3/t20-,21+,25-,26-,27?/m0/s1
InChIKeyJVERHSPATOGMGT-YXGPKXJVSA-N
MW381.52 g/mol
LogP5.13
Rot. Bonds2

About (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol

(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol (PubChem CID 7108613) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
PubChem CID7108613
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1
InChIInChI=1S/C27H27NO/c1-20-25(23-14-8-4-9-15-23)28-26(24-16-10-5-11-17-24)21(2)27(20,29)19-18-22-12-6-3-7-13-22/h3-17,20-21,25-26,28-29H,1-2H3/t20-,21+,25-,26-,27?/m0/s1
InChIKeyJVERHSPATOGMGT-YXGPKXJVSA-N
XLogP5.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R,5S,6S)-3,5-dimethyl-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

(2S,3S,4R,5S,6R)-3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propylpiperidin-4-ol
CID 7243099
(2R,3R,5S,6S)-1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol
CID 7243028
(2R,3S,5S,6S)-1,3,5-trimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-1-ium-4-ol
CID 6602043
(2S,3S,5S,6S)-4-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol
CID 7243060
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
(2R,3R,4S,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 98713917
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2R,3R,4S,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887995
(2R,3R,4R,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887997
3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
CID 2879638
(2R,3R,4S,5R,6S)-3-methyl-2,6-diphenyl-4,5-dipropylpiperidin-4-ol
CID 6555448

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The IUPAC name of (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol (CID 7108613) is (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol.
What is the SMILES notation for (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The canonical SMILES for (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol is C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1.
What is the InChIKey of (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
The InChIKey is JVERHSPATOGMGT-YXGPKXJVSA-N. The full InChI is InChI=1S/C27H27NO/c1-20-25(23-14-8-4-9-15-23)28-26(24-16-10-5-11-17-24)21(2)27(20,29)19-18-22-12-6-3-7-13-22/h3-17,20-21,25-26,28-29H,1-2H3/t20-,21+,25-,26-,27?/m0/s1.
What are the key properties of (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol?
(2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol has a molecular weight of 381.52 g/mol, XLogP of 5.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-(2-phenylethynyl)piperidin-4-ol is sourced from PubChem (CID 7108613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).