[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine

C15H23BrN2 — CID 83053330

IUPAC[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCCCN1c1ccc(CN)cc1Br
InChIInChI=1S/C15H23BrN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9,11,17H2,1H3
InChIKeyQSBWMFZFUWYAOU-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.07
Rot. Bonds4

About [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine

[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine (PubChem CID 83053330) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
PubChem CID83053330
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCCCN1c1ccc(CN)cc1Br
InChIInChI=1S/C15H23BrN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9,11,17H2,1H3
InChIKeyQSBWMFZFUWYAOU-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056041
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
3-bromo-4-(2-propylpiperidin-1-yl)benzenecarboximidamide
CID 83055859
1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83046686
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
[3-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227316

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine (CID 83053330) is [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine is CCCC1CCCCN1c1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is QSBWMFZFUWYAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9,11,17H2,1H3.
What are the key properties of [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine?
[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 311.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 83053330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).