9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol

C33H43NO3 — CID 141172908

IUPAC9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
SMILESOCC(CCCC(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C33H43NO3/c35-26-28(27-12-4-1-5-13-27)14-10-19-32(36)20-11-23-34-24-21-31(22-25-34)33(37,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-9,12-13,15-18,28,31-32,35-37H,10-11,14,19-26H2
InChIKeyXSQGDDYVPHFWII-UHFFFAOYSA-N
MW501.71 g/mol
LogP5.72
Rot. Bonds13

About 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol

9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol (PubChem CID 141172908) has the molecular formula C33H43NO3 and a molecular weight of 501.71 g/mol. Its IUPAC name is 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol.

Molecular Properties

Compound Name9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
PubChem CID141172908
Molecular FormulaC33H43NO3
Molecular Weight501.71 g/mol
Exact Mass501.32
IUPAC Name9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
SMILESOCC(CCCC(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C33H43NO3/c35-26-28(27-12-4-1-5-13-27)14-10-19-32(36)20-11-23-34-24-21-31(22-25-34)33(37,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-9,12-13,15-18,28,31-32,35-37H,10-11,14,19-26H2
InChIKeyXSQGDDYVPHFWII-UHFFFAOYSA-N
XLogP5.72
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol?
The IUPAC name of 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol (CID 141172908) is 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol.
What is the SMILES notation for 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol?
The canonical SMILES for 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol is OCC(CCCC(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol?
The InChIKey is XSQGDDYVPHFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO3/c35-26-28(27-12-4-1-5-13-27)14-10-19-32(36)20-11-23-34-24-21-31(22-25-34)33(37,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-9,12-13,15-18,28,31-32,35-37H,10-11,14,19-26H2.
What are the key properties of 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol?
9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol has a molecular weight of 501.71 g/mol, XLogP of 5.72, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol is sourced from PubChem (CID 141172908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).