(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol

C22H29NO2 — CID 6604328

IUPAC(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
SMILESCN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20-,21-,22+/m1/s1
InChIKeyOWGJQNXIWMMDTH-YSFYHYPLSA-N
MW339.48 g/mol
LogP4.09
Rot. Bonds6

About (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol

(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol (PubChem CID 6604328) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
PubChem CID6604328
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
SMILESCN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20-,21-,22+/m1/s1
InChIKeyOWGJQNXIWMMDTH-YSFYHYPLSA-N
XLogP4.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol 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

Terfenadine
CID 5405
Trihexyphenidyl
CID 5572
Lobeline
CID 101616
Diphenylpyraline
CID 3103
med.21724, Compound Benztropine
CID 1201549
Ifenprodil
CID 3689
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
(-)-Lobeline hydrochloride
CID 101615
Diphenidol Hydrochloride
CID 66266
Diphenylpyraline Hydrochloride
CID 66063

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol (CID 6604328) is (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol is CN1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol?
The InChIKey is OWGJQNXIWMMDTH-YSFYHYPLSA-N. The full InChI is InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20-,21-,22+/m1/s1.
What are the key properties of (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol?
(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol has a molecular weight of 339.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 6604328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).