1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine

C16H25BrN2O — CID 102967425

IUPAC1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(OC)C1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(12-19)20-2/h3,5-6,11,15-16,18H,4,7-10,12H2,1-2H3
InChIKeyRHSZTZVPVVHGFH-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine

1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine (PubChem CID 102967425) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
PubChem CID102967425
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC(OC)C1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(12-19)20-2/h3,5-6,11,15-16,18H,4,7-10,12H2,1-2H3
InChIKeyRHSZTZVPVVHGFH-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(3-bromophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539152
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-bromophenyl)-N-methylpropan-1-amine
CID 79933548
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine (CID 102967425) is 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCCC(OC)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is RHSZTZVPVVHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-18-16(13-5-3-6-14(17)11-13)8-10-19-9-4-7-15(12-19)20-2/h3,5-6,11,15-16,18H,4,7-10,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine?
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 341.29 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 102967425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).