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

C12H17BrN2O — CID 107274657

IUPAC1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
SMILESNCc1ccc(N2CCC(O)CC2)cc1Br
InChIInChI=1S/C12H17BrN2O/c13-12-7-10(2-1-9(12)8-14)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,8,14H2
InChIKeyGKTDITDIZTWRNP-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.87
Rot. Bonds2

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

1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol (PubChem CID 107274657) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
PubChem CID107274657
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol
SMILESNCc1ccc(N2CCC(O)CC2)cc1Br
InChIInChI=1S/C12H17BrN2O/c13-12-7-10(2-1-9(12)8-14)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,8,14H2
InChIKeyGKTDITDIZTWRNP-UHFFFAOYSA-N
XLogP1.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(ethylaminomethyl)phenyl]piperidin-4-ol
CID 114060688
[2-bromo-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107274914
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromophenyl]methanamine
CID 107275009
[2-bromo-4-(1,1-dioxo-1,4-thiazepan-4-yl)phenyl]methanamine
CID 114083356
1-[3-bromo-4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 114060813
[2-bromo-4-(2-methylthiomorpholin-4-yl)phenyl]methanamine
CID 107275045
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
1-[4-amino-3-(aminomethyl)phenyl]pyrrolidin-3-ol
CID 82507359
[2-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 107274929
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
1-(2-bromo-4-pyridinyl)piperidin-4-ol
CID 130113709
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol (CID 107274657) is 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol is NCc1ccc(N2CCC(O)CC2)cc1Br.
What is the InChIKey of 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
The InChIKey is GKTDITDIZTWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-12-7-10(2-1-9(12)8-14)15-5-3-11(16)4-6-15/h1-2,7,11,16H,3-6,8,14H2.
What are the key properties of 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol?
1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol has a molecular weight of 285.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-bromophenyl]piperidin-4-ol is sourced from PubChem (CID 107274657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).