4-(2-bromophenyl)-1-methylpiperidin-4-ol

C12H16BrNO — CID 53417639

IUPAC4-(2-bromophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccccc2Br)CC1
InChIInChI=1S/C12H16BrNO/c1-14-8-6-12(15,7-9-14)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3
InChIKeyFJKKYTUQPBXQBJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.36
Rot. Bonds1

About 4-(2-bromophenyl)-1-methylpiperidin-4-ol

4-(2-bromophenyl)-1-methylpiperidin-4-ol (PubChem CID 53417639) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-methylpiperidin-4-ol
PubChem CID53417639
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(2-bromophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccccc2Br)CC1
InChIInChI=1S/C12H16BrNO/c1-14-8-6-12(15,7-9-14)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3
InChIKeyFJKKYTUQPBXQBJ-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(2-bromophenyl)-1-methylpiperidin-4-ol (CID 53417639) is 4-(2-bromophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(2-bromophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(2-bromophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)-1-methylpiperidin-4-ol?
The InChIKey is FJKKYTUQPBXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-8-6-12(15,7-9-14)10-4-2-3-5-11(10)13/h2-5,15H,6-9H2,1H3.
What are the key properties of 4-(2-bromophenyl)-1-methylpiperidin-4-ol?
4-(2-bromophenyl)-1-methylpiperidin-4-ol has a molecular weight of 270.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 53417639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).