1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine

C15H23BrN2 — CID 117496154

IUPAC1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CC2CCCNC2)cc1Br
InChIInChI=1S/C15H23BrN2/c1-18(2)11-14-6-5-12(9-15(14)16)8-13-4-3-7-17-10-13/h5-6,9,13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVFGJJULGSCGAMF-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine

1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 117496154) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID117496154
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CC2CCCNC2)cc1Br
InChIInChI=1S/C15H23BrN2/c1-18(2)11-14-6-5-12(9-15(14)16)8-13-4-3-7-17-10-13/h5-6,9,13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyVFGJJULGSCGAMF-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84815889
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine (CID 117496154) is 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CC2CCCNC2)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is VFGJJULGSCGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(2)11-14-6-5-12(9-15(14)16)8-13-4-3-7-17-10-13/h5-6,9,13,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine?
1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 117496154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).