(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol

C23H32N2O — CID 97356694

IUPAC(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol
SMILESC[C@@H]1CCC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H32N2O/c1-19-11-10-12-20(2)25(19)18-9-7-16-23(26,21-13-4-3-5-14-21)22-15-6-8-17-24-22/h3-6,8,13-15,17,19-20,26H,7,9-12,16,18H2,1-2H3/t19-,20-,23-/m1/s1
InChIKeyDOMLQNJBAMPKKT-TXTKFYIRSA-N
MW352.52 g/mol
LogP4.75
Rot. Bonds7

About (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol

(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol (PubChem CID 97356694) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol.

Molecular Properties

Compound Name(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol
PubChem CID97356694
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol
SMILESC[C@@H]1CCC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C23H32N2O/c1-19-11-10-12-20(2)25(19)18-9-7-16-23(26,21-13-4-3-5-14-21)22-15-6-8-17-24-22/h3-6,8,13-15,17,19-20,26H,7,9-12,16,18H2,1-2H3/t19-,20-,23-/m1/s1
InChIKeyDOMLQNJBAMPKKT-TXTKFYIRSA-N
XLogP4.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylpiperidin-1-yl)-1-phenyl-1-pyridin-2-ylbutan-1-ol
CID 4853
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
CID 14810520
5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
CID 92853218
4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
CID 14810506
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpropan-1-ol
CID 92853219
(E,1S)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbut-2-en-1-ol
CID 129374512
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
4-(2,6-dimethylpiperidin-1-yl)-2-(4-phenylphenyl)butan-2-ol
CID 57320094
(2-hydroxy-2-phenyl-2-pyridin-2-ylethyl) (3S)-1-ethylpiperidine-3-carboxylate
CID 70340569
(1S)-2-nitro-1-phenyl-1-pyridin-2-ylethanol
CID 139167628
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylbutyl] sulfamate
CID 54561377

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol?
The IUPAC name of (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol (CID 97356694) is (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol.
What is the SMILES notation for (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol?
The canonical SMILES for (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol is C[C@@H]1CCC[C@@H](C)N1CCCC[C@@](O)(c1ccccc1)c1ccccn1.
What is the InChIKey of (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol?
The InChIKey is DOMLQNJBAMPKKT-TXTKFYIRSA-N. The full InChI is InChI=1S/C23H32N2O/c1-19-11-10-12-20(2)25(19)18-9-7-16-23(26,21-13-4-3-5-14-21)22-15-6-8-17-24-22/h3-6,8,13-15,17,19-20,26H,7,9-12,16,18H2,1-2H3/t19-,20-,23-/m1/s1.
What are the key properties of (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol?
(1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol has a molecular weight of 352.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylpentan-1-ol is sourced from PubChem (CID 97356694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).