[6-(4-bromophenyl)piperidin-3-yl]methanamine

C12H17BrN2 — CID 82379402

IUPAC[6-(4-bromophenyl)piperidin-3-yl]methanamine
SMILESNCC1CCC(c2ccc(Br)cc2)NC1
InChIInChI=1S/C12H17BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6-8,14H2
InChIKeyRBHYAPYLFZUVSI-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.45
Rot. Bonds2

About [6-(4-bromophenyl)piperidin-3-yl]methanamine

[6-(4-bromophenyl)piperidin-3-yl]methanamine (PubChem CID 82379402) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is [6-(4-bromophenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4-bromophenyl)piperidin-3-yl]methanamine
PubChem CID82379402
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name[6-(4-bromophenyl)piperidin-3-yl]methanamine
SMILESNCC1CCC(c2ccc(Br)cc2)NC1
InChIInChI=1S/C12H17BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6-8,14H2
InChIKeyRBHYAPYLFZUVSI-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)piperidin-3-yl]methanamine?
The IUPAC name of [6-(4-bromophenyl)piperidin-3-yl]methanamine (CID 82379402) is [6-(4-bromophenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-(4-bromophenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-(4-bromophenyl)piperidin-3-yl]methanamine is NCC1CCC(c2ccc(Br)cc2)NC1.
What is the InChIKey of [6-(4-bromophenyl)piperidin-3-yl]methanamine?
The InChIKey is RBHYAPYLFZUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-4-2-10(3-5-11)12-6-1-9(7-14)8-15-12/h2-5,9,12,15H,1,6-8,14H2.
What are the key properties of [6-(4-bromophenyl)piperidin-3-yl]methanamine?
[6-(4-bromophenyl)piperidin-3-yl]methanamine has a molecular weight of 269.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82379402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).