4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol

C21H27NO — CID 143402498

IUPAC4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)CN1CCCC(c2ccccc2)C1
InChIInChI=1S/C21H27NO/c23-21(14-13-18-8-3-1-4-9-18)17-22-15-7-12-20(16-22)19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2
InChIKeyJMJSVBXYBJLOBD-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.86
Rot. Bonds6

About 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol

4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol (PubChem CID 143402498) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
PubChem CID143402498
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
SMILESOC(CCc1ccccc1)CN1CCCC(c2ccccc2)C1
InChIInChI=1S/C21H27NO/c23-21(14-13-18-8-3-1-4-9-18)17-22-15-7-12-20(16-22)19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2
InChIKeyJMJSVBXYBJLOBD-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylpiperidin-1-yl)propan-2-ol
CID 175811247
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
CID 15947124
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;methane;sulfane;dihydrochloride
CID 158132619
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
(2S)-2-hydroxy-2-[1-[(2R)-2-hydroxy-4-phenylbutyl]piperidin-4-yl]acetamide
CID 129489903
3-phenyl-1-propylpiperidine
CID 12937946
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol (CID 143402498) is 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol is OC(CCc1ccccc1)CN1CCCC(c2ccccc2)C1.
What is the InChIKey of 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol?
The InChIKey is JMJSVBXYBJLOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-21(14-13-18-8-3-1-4-9-18)17-22-15-7-12-20(16-22)19-10-5-2-6-11-19/h1-6,8-11,20-21,23H,7,12-17H2.
What are the key properties of 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol?
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol has a molecular weight of 309.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 143402498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).