4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol

C21H25Cl2NO2 — CID 66572397

IUPAC4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2
InChIKeyJZHYJRPFUZJBQH-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.49
Rot. Bonds6

About 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol

4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol (PubChem CID 66572397) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
PubChem CID66572397
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2
InChIKeyJZHYJRPFUZJBQH-UHFFFAOYSA-N
XLogP4.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol (CID 66572397) is 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol is OC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The InChIKey is JZHYJRPFUZJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2.
What are the key properties of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol has a molecular weight of 394.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 66572397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).