2-(4-bromophenyl)-2-methylpiperidin-3-ol

C12H16BrNO — CID 115050363

IUPAC2-(4-bromophenyl)-2-methylpiperidin-3-ol
SMILESCC1(c2ccc(Br)cc2)NCCCC1O
InChIInChI=1S/C12H16BrNO/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9/h4-7,11,14-15H,2-3,8H2,1H3
InChIKeyJTJUMQCECHNBHA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.41
Rot. Bonds1

About 2-(4-bromophenyl)-2-methylpiperidin-3-ol

2-(4-bromophenyl)-2-methylpiperidin-3-ol (PubChem CID 115050363) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methylpiperidin-3-ol
PubChem CID115050363
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(4-bromophenyl)-2-methylpiperidin-3-ol
SMILESCC1(c2ccc(Br)cc2)NCCCC1O
InChIInChI=1S/C12H16BrNO/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9/h4-7,11,14-15H,2-3,8H2,1H3
InChIKeyJTJUMQCECHNBHA-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methylpiperidin-3-ol?
The IUPAC name of 2-(4-bromophenyl)-2-methylpiperidin-3-ol (CID 115050363) is 2-(4-bromophenyl)-2-methylpiperidin-3-ol.
What is the SMILES notation for 2-(4-bromophenyl)-2-methylpiperidin-3-ol?
The canonical SMILES for 2-(4-bromophenyl)-2-methylpiperidin-3-ol is CC1(c2ccc(Br)cc2)NCCCC1O.
What is the InChIKey of 2-(4-bromophenyl)-2-methylpiperidin-3-ol?
The InChIKey is JTJUMQCECHNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9/h4-7,11,14-15H,2-3,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-methylpiperidin-3-ol?
2-(4-bromophenyl)-2-methylpiperidin-3-ol has a molecular weight of 270.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methylpiperidin-3-ol is sourced from PubChem (CID 115050363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).