1-(4-bromo-3-methylphenyl)piperidin-3-ol

C12H16BrNO — CID 117012803

IUPAC1-(4-bromo-3-methylphenyl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeySZCBHUJTCZREGJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds1

About 1-(4-bromo-3-methylphenyl)piperidin-3-ol

1-(4-bromo-3-methylphenyl)piperidin-3-ol (PubChem CID 117012803) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)piperidin-3-ol
PubChem CID117012803
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromo-3-methylphenyl)piperidin-3-ol
SMILESCc1cc(N2CCCC(O)C2)ccc1Br
InChIInChI=1S/C12H16BrNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeySZCBHUJTCZREGJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-[3-bromo-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 86806544
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanol
CID 84608258
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-(4-amino-3-methylphenyl)azepan-4-ol
CID 23103827
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
(3R)-1-(2-bromo-5-fluorophenyl)piperidin-3-ol
CID 170753354
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanamine
CID 84607307
1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020892
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
CID 123879293

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)piperidin-3-ol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)piperidin-3-ol (CID 117012803) is 1-(4-bromo-3-methylphenyl)piperidin-3-ol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)piperidin-3-ol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)piperidin-3-ol is Cc1cc(N2CCCC(O)C2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)piperidin-3-ol?
The InChIKey is SZCBHUJTCZREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-7-10(4-5-12(9)13)14-6-2-3-11(15)8-14/h4-5,7,11,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)piperidin-3-ol?
1-(4-bromo-3-methylphenyl)piperidin-3-ol has a molecular weight of 270.17 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)piperidin-3-ol is sourced from PubChem (CID 117012803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).