(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol

C28H33NO2 — CID 67766742

IUPAC(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol
SMILESOC(CCC[C@@](O)(c1ccccc1)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-27(24-14-5-1-6-15-24,25-16-7-2-8-17-25)20-13-21-28(31,26-18-9-3-10-19-26)29-22-11-4-12-23-29/h1-3,5-10,14-19,30-31H,4,11-13,20-23H2/t28-/m1/s1
InChIKeyBNGRUENIPDHRNE-MUUNZHRXSA-N
MW415.58 g/mol
LogP5.42
Rot. Bonds8

About (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol

(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol (PubChem CID 67766742) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol.

Molecular Properties

Compound Name(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol
PubChem CID67766742
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol
SMILESOC(CCC[C@@](O)(c1ccccc1)N1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-27(24-14-5-1-6-15-24,25-16-7-2-8-17-25)20-13-21-28(31,26-18-9-3-10-19-26)29-22-11-4-12-23-29/h1-3,5-10,14-19,30-31H,4,11-13,20-23H2/t28-/m1/s1
InChIKeyBNGRUENIPDHRNE-MUUNZHRXSA-N
XLogP5.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
2,2,2-trifluoro-1-phenyl-1-piperidin-1-ylethanol
CID 70536093
4-(2,6-dimethylpiperidin-1-yl)-1,1-diphenylbutan-1-ol
CID 14810506
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
5-phenyl-2-piperidin-1-ylpentan-2-ol
CID 67739999
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
CID 3084455
1-(4-bromophenyl)-3-[hydroxy(phenyl)methyl]-4-phenyl-1-piperidin-1-ylbutane-1,4-diol
CID 67740025
2-phenyl-2-pyrrolidin-1-ylbutanoic acid
CID 43803457
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388

Frequently Asked Questions

What is the IUPAC name of (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol?
The IUPAC name of (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol (CID 67766742) is (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol.
What is the SMILES notation for (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol?
The canonical SMILES for (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol is OC(CCC[C@@](O)(c1ccccc1)N1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol?
The InChIKey is BNGRUENIPDHRNE-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H33NO2/c30-27(24-14-5-1-6-15-24,25-16-7-2-8-17-25)20-13-21-28(31,26-18-9-3-10-19-26)29-22-11-4-12-23-29/h1-3,5-10,14-19,30-31H,4,11-13,20-23H2/t28-/m1/s1.
What are the key properties of (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol?
(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol has a molecular weight of 415.58 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol is sourced from PubChem (CID 67766742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).