4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol

C28H33NO2 — CID 10300807

IUPAC4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol
SMILESOC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(31,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,30-31H,10,17-22H2
InChIKeyIQJRHGHNCFTRIB-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.15
Rot. Bonds8

About 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol

4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol (PubChem CID 10300807) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol
PubChem CID10300807
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol
SMILESOC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(31,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,30-31H,10,17-22H2
InChIKeyIQJRHGHNCFTRIB-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol?
The IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol (CID 10300807) is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol.
What is the SMILES notation for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol?
The canonical SMILES for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol is OC(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol?
The InChIKey is IQJRHGHNCFTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)28(31,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,26-27,30-31H,10,17-22H2.
What are the key properties of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol?
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol has a molecular weight of 415.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-phenylbutan-1-ol is sourced from PubChem (CID 10300807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).