5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol

C24H33NO — CID 14810520

IUPAC5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
SMILESC[C@@H]1CCC[C@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO/c1-20-12-11-13-21(2)25(20)19-10-9-18-24(26,22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-8,14-17,20-21,26H,9-13,18-19H2,1-2H3/t20-,21+
InChIKeyKUFREUPVXVHBCT-OYRHEFFESA-N
MW351.53 g/mol
LogP5.36
Rot. Bonds7

About 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol (PubChem CID 14810520) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
PubChem CID14810520
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol
SMILESC[C@@H]1CCC[C@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO/c1-20-12-11-13-21(2)25(20)19-10-9-18-24(26,22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-8,14-17,20-21,26H,9-13,18-19H2,1-2H3/t20-,21+
InChIKeyKUFREUPVXVHBCT-OYRHEFFESA-N
XLogP5.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol (CID 14810520) is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol is C[C@@H]1CCC[C@H](C)N1CCCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol?
The InChIKey is KUFREUPVXVHBCT-OYRHEFFESA-N. The full InChI is InChI=1S/C24H33NO/c1-20-12-11-13-21(2)25(20)19-10-9-18-24(26,22-14-5-3-6-15-22)23-16-7-4-8-17-23/h3-8,14-17,20-21,26H,9-13,18-19H2,1-2H3/t20-,21+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol?
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol has a molecular weight of 351.53 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1,1-diphenylpentan-1-ol is sourced from PubChem (CID 14810520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).