[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine

C15H23BrN2 — CID 66480996

IUPAC[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCc1cc(CN2CC(CN)CCC2C)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-7-13(5-6-15(11)16)9-18-10-14(8-17)4-3-12(18)2/h5-7,12,14H,3-4,8-10,17H2,1-2H3
InChIKeyOBEOUYKGOSDNDR-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.32
Rot. Bonds3

About [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine

[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine (PubChem CID 66480996) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
PubChem CID66480996
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCc1cc(CN2CC(CN)CCC2C)ccc1Br
InChIInChI=1S/C15H23BrN2/c1-11-7-13(5-6-15(11)16)9-18-10-14(8-17)4-3-12(18)2/h5-7,12,14H,3-4,8-10,17H2,1-2H3
InChIKeyOBEOUYKGOSDNDR-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine with MolForge

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Related Compounds

[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108
[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 65026475
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
CID 110022481
5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 65340682
4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106792785
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
[1-[(4-bromo-2-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 114382210
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine (CID 66480996) is [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine is Cc1cc(CN2CC(CN)CCC2C)ccc1Br.
What is the InChIKey of [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The InChIKey is OBEOUYKGOSDNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-7-13(5-6-15(11)16)9-18-10-14(8-17)4-3-12(18)2/h5-7,12,14H,3-4,8-10,17H2,1-2H3.
What are the key properties of [1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine has a molecular weight of 311.27 g/mol, XLogP of 3.32, 3 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)methyl]-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 66480996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).