(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol

C23H31NO — CID 52941366

IUPAC(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1
InChIInChI=1S/C23H31NO/c25-19-22(21-14-5-2-6-15-21)23-16-8-10-18-24(23)17-9-7-13-20-11-3-1-4-12-20/h1-6,11-12,14-15,22-23,25H,7-10,13,16-19H2/t22-,23-/m1/s1
InChIKeyMGISPZACVQKKJZ-DHIUTWEWSA-N
MW337.51 g/mol
LogP4.64
Rot. Bonds8

About (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol

(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol (PubChem CID 52941366) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol
PubChem CID52941366
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1
InChIInChI=1S/C23H31NO/c25-19-22(21-14-5-2-6-15-21)23-16-8-10-18-24(23)17-9-7-13-20-11-3-1-4-12-20/h1-6,11-12,14-15,22-23,25H,7-10,13,16-19H2/t22-,23-/m1/s1
InChIKeyMGISPZACVQKKJZ-DHIUTWEWSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.64
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 (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol (CID 52941366) is (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol is OC[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol?
The InChIKey is MGISPZACVQKKJZ-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H31NO/c25-19-22(21-14-5-2-6-15-21)23-16-8-10-18-24(23)17-9-7-13-20-11-3-1-4-12-20/h1-6,11-12,14-15,22-23,25H,7-10,13,16-19H2/t22-,23-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol?
(2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol has a molecular weight of 337.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2R)-1-(4-phenylbutyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 52941366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).