1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine

C13H19BrN2 — CID 43281124

IUPAC1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-15-10-11-5-6-12(14)9-13(11)16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyPGPPHLJREDGABP-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine

1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine (PubChem CID 43281124) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
PubChem CID43281124
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1N1CCCCC1
InChIInChI=1S/C13H19BrN2/c1-15-10-11-5-6-12(14)9-13(11)16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3
InChIKeyPGPPHLJREDGABP-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 63553090
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-bromophenyl]-N-methylmethanamine
CID 63158654
N-[[2-(azepan-1-yl)-4-bromophenyl]methyl]-2-methylpropan-2-amine
CID 63566560
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
1-[4-bromo-2-(4-ethoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 61215787
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
4-[5-bromo-2-(methylaminomethyl)phenyl]piperazine-2,6-dione
CID 66085166
[1-[5-bromo-2-(methylaminomethyl)phenyl]azepan-2-yl]methanol
CID 116635480
1-[(4-bromo-2-piperidin-1-ylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 174836186
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine (CID 43281124) is 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine is CNCc1ccc(Br)cc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine?
The InChIKey is PGPPHLJREDGABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-15-10-11-5-6-12(14)9-13(11)16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine?
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine has a molecular weight of 283.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43281124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).