4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol

C18H19Br2NO — CID 1070039

IUPAC4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C18H19Br2NO/c19-16-6-4-15(5-7-16)18(22)8-10-21(11-9-18)13-14-2-1-3-17(20)12-14/h1-7,12,22H,8-11,13H2
InChIKeyHCJJVQXBEQAINE-UHFFFAOYSA-N
MW425.16 g/mol
LogP4.70
Rot. Bonds3

About 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol

4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol (PubChem CID 1070039) has the molecular formula C18H19Br2NO and a molecular weight of 425.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol
PubChem CID1070039
Molecular FormulaC18H19Br2NO
Molecular Weight425.16 g/mol
Exact Mass422.98
IUPAC Name4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C18H19Br2NO/c19-16-6-4-15(5-7-16)18(22)8-10-21(11-9-18)13-14-2-1-3-17(20)12-14/h1-7,12,22H,8-11,13H2
InChIKeyHCJJVQXBEQAINE-UHFFFAOYSA-N
XLogP4.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.16
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol (CID 1070039) is 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol is OC1(c2ccc(Br)cc2)CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol?
The InChIKey is HCJJVQXBEQAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO/c19-16-6-4-15(5-7-16)18(22)8-10-21(11-9-18)13-14-2-1-3-17(20)12-14/h1-7,12,22H,8-11,13H2.
What are the key properties of 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol?
4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol has a molecular weight of 425.16 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(3-bromophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 1070039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).