1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine

C18H29BrN2 — CID 63484292

IUPAC1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(C)CC1)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-3-11-20-18(16-6-4-5-7-17(16)19)10-14-21-12-8-15(2)9-13-21/h4-7,15,18,20H,3,8-14H2,1-2H3
InChIKeyRMDQLZLCFGJUTB-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.61
Rot. Bonds7

About 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine

1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine (PubChem CID 63484292) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
PubChem CID63484292
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCC(C)CC1)c1ccccc1Br
InChIInChI=1S/C18H29BrN2/c1-3-11-20-18(16-6-4-5-7-17(16)19)10-14-21-12-8-15(2)9-13-21/h4-7,15,18,20H,3,8-14H2,1-2H3
InChIKeyRMDQLZLCFGJUTB-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
CID 62630064
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine (CID 63484292) is 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCC(C)CC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is RMDQLZLCFGJUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-3-11-20-18(16-6-4-5-7-17(16)19)10-14-21-12-8-15(2)9-13-21/h4-7,15,18,20H,3,8-14H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine?
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 353.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63484292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).