(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol

C20H21NO — CID 95906179

IUPAC(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
SMILESC#CC1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H21NO/c1-3-20(22)14-18(16-10-6-4-7-11-16)21(2)19(15-20)17-12-8-5-9-13-17/h1,4-13,18-19,22H,14-15H2,2H3/t18-,19-/m0/s1
InChIKeyPWVICUJDTDASAC-OALUTQOASA-N
MW291.39 g/mol
LogP3.56
Rot. Bonds2

About (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol

(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol (PubChem CID 95906179) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
PubChem CID95906179
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol
SMILESC#CC1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H21NO/c1-3-20(22)14-18(16-10-6-4-7-11-16)21(2)19(15-20)17-12-8-5-9-13-17/h1,4-13,18-19,22H,14-15H2,2H3/t18-,19-/m0/s1
InChIKeyPWVICUJDTDASAC-OALUTQOASA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-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

N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
(2S,3S,4R,6S)-1-methyl-2,4,6-triphenyl-3-propan-2-ylpiperidin-4-ol
CID 7451838
(2S,3S,4R,6S)-1,3-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11904896
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
(2R,3R,4R,6S)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-4-ol
CID 51411847
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
(4-ethynyl-4-hydroxy-2,6-diphenyl-3-propylpiperidin-1-yl)-phenylmethanone
CID 42649077
1-methyl-2-phenylazetidine
CID 576373
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
[(1R,2S)-2-methyl-2-(2-methylprop-1-enyl)cyclopropyl]benzene
CID 155932132
1-methyl-2-phenylazepane
CID 23447707

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol (CID 95906179) is (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol is C#CC1(O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1.
What is the InChIKey of (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is PWVICUJDTDASAC-OALUTQOASA-N. The full InChI is InChI=1S/C20H21NO/c1-3-20(22)14-18(16-10-6-4-7-11-16)21(2)19(15-20)17-12-8-5-9-13-17/h1,4-13,18-19,22H,14-15H2,2H3/t18-,19-/m0/s1.
What are the key properties of (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol?
(2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 291.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 95906179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).