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

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Related Compounds

1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-(4-benzylpiperidin-1-yl)-3-(4-phenylmethoxyphenyl)propan-2-one
CID 142660542
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
CID 70293631
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
1-(2-benzylphenyl)-3-[2-(4-hydroxypiperidin-1-yl)ethyl]urea
CID 74244259
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847

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).