(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine

C13H19BrN2O — CID 82308332

IUPAC(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1ccc(C(N)C2CCNCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-17-12-3-2-10(8-11(12)14)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyNKYGMGFRTGXQAC-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.46
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine

(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine (PubChem CID 82308332) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
PubChem CID82308332
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1ccc(C(N)C2CCNCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-17-12-3-2-10(8-11(12)14)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyNKYGMGFRTGXQAC-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
1-(3-bromo-4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82309048
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine (CID 82308332) is (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine is COc1ccc(C(N)C2CCNCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine?
The InChIKey is NKYGMGFRTGXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-12-3-2-10(8-11(12)14)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine?
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82308332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).