[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine

C17H26BrN3 — CID 114889518

IUPAC[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Br)ccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H26BrN3/c18-15-4-5-17(14(12-15)13-19)21-10-6-16(7-11-21)20-8-2-1-3-9-20/h4-5,12,16H,1-3,6-11,13,19H2
InChIKeyCTTAAEOSVYNVEC-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.36
Rot. Bonds3

About [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine

[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114889518) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
PubChem CID114889518
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Br)ccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H26BrN3/c18-15-4-5-17(14(12-15)13-19)21-10-6-16(7-11-21)20-8-2-1-3-9-20/h4-5,12,16H,1-3,6-11,13,19H2
InChIKeyCTTAAEOSVYNVEC-UHFFFAOYSA-N
XLogP3.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine with MolForge

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Related Compounds

[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromophenyl]methanamine
CID 114889665
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
1-[1-(4-bromo-2-ethylphenyl)piperidin-4-yl]-4-methylpiperazine
CID 175689373
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 112694656
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-bromophenyl]methanamine
CID 63150594
5-bromo-2-(4-cyclohexylpiperazin-1-yl)aniline
CID 117013658
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 62946182
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine (CID 114889518) is [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine is NCc1cc(Br)ccc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is CTTAAEOSVYNVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c18-15-4-5-17(14(12-15)13-19)21-10-6-16(7-11-21)20-8-2-1-3-9-20/h4-5,12,16H,1-3,6-11,13,19H2.
What are the key properties of [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 352.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114889518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).