1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol

C15H23BrN2O — CID 43281090

IUPAC1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
SMILESCCCNCc1ccc(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C15H23BrN2O/c1-2-7-17-11-12-3-4-13(16)10-15(12)18-8-5-14(19)6-9-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3
InChIKeyQBCUICUKLWWSSQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.91
Rot. Bonds5

About 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol

1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol (PubChem CID 43281090) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
PubChem CID43281090
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
SMILESCCCNCc1ccc(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C15H23BrN2O/c1-2-7-17-11-12-3-4-13(16)10-15(12)18-8-5-14(19)6-9-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3
InChIKeyQBCUICUKLWWSSQ-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
N-[[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43373114
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
N-[[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]propan-1-amine
CID 54885884
N-[[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]ethanamine
CID 63972340
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 43280395
N-[[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63551604
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
CID 114847553
1-[3-bromo-4-(ethylaminomethyl)phenyl]piperidin-4-ol
CID 114060688
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol (CID 43281090) is 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol is CCCNCc1ccc(Br)cc1N1CCC(O)CC1.
What is the InChIKey of 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol?
The InChIKey is QBCUICUKLWWSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-7-17-11-12-3-4-13(16)10-15(12)18-8-5-14(19)6-9-18/h3-4,10,14,17,19H,2,5-9,11H2,1H3.
What are the key properties of 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol?
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol has a molecular weight of 327.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 43281090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).