1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol

C28H33NO2 — CID 10047489

IUPAC1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCc2ccccc2COc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C28H33NO2/c30-27-16-19-29(20-17-27)18-6-11-25-9-4-5-10-26(25)22-31-28-14-12-24(13-15-28)21-23-7-2-1-3-8-23/h1-5,7-10,12-15,27,30H,6,11,16-22H2
InChIKeyNSFNSUOTOJRNRE-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.25
Rot. Bonds9

About 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol

1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol (PubChem CID 10047489) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol
PubChem CID10047489
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCc2ccccc2COc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C28H33NO2/c30-27-16-19-29(20-17-27)18-6-11-25-9-4-5-10-26(25)22-31-28-14-12-24(13-15-28)21-23-7-2-1-3-8-23/h1-5,7-10,12-15,27,30H,6,11,16-22H2
InChIKeyNSFNSUOTOJRNRE-UHFFFAOYSA-N
XLogP5.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol (CID 10047489) is 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol is OC1CCN(CCCc2ccccc2COc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol?
The InChIKey is NSFNSUOTOJRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c30-27-16-19-29(20-17-27)18-6-11-25-9-4-5-10-26(25)22-31-28-14-12-24(13-15-28)21-23-7-2-1-3-8-23/h1-5,7-10,12-15,27,30H,6,11,16-22H2.
What are the key properties of 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol?
1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol has a molecular weight of 415.58 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(4-benzylphenoxy)methyl]phenyl]propyl]piperidin-4-ol is sourced from PubChem (CID 10047489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).