1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine

C15H24BrN3 — CID 54986174

IUPAC1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cc(Br)ccc2CN)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)11-12-5-7-19(8-6-12)15-9-14(16)4-3-13(15)10-17/h3-4,9,12H,5-8,10-11,17H2,1-2H3
InChIKeyYZNVNULDJPRBRI-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.69
Rot. Bonds4

About 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 54986174) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID54986174
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cc(Br)ccc2CN)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)11-12-5-7-19(8-6-12)15-9-14(16)4-3-13(15)10-17/h3-4,9,12H,5-8,10-11,17H2,1-2H3
InChIKeyYZNVNULDJPRBRI-UHFFFAOYSA-N
XLogP2.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
1-[5-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966882
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine
CID 63553277
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195
[4-bromo-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43364922

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 54986174) is 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cc(Br)ccc2CN)CC1.
What is the InChIKey of 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is YZNVNULDJPRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(2)11-12-5-7-19(8-6-12)15-9-14(16)4-3-13(15)10-17/h3-4,9,12H,5-8,10-11,17H2,1-2H3.
What are the key properties of 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(aminomethyl)-5-bromophenyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54986174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).