1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine

C17H27BrN2 — CID 62617347

IUPAC1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2/c1-3-19-17(15-6-8-16(18)9-7-15)10-12-20-11-4-5-14(2)13-20/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyRGNNRCZISAETLT-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.22
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine

1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine (PubChem CID 62617347) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
PubChem CID62617347
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2/c1-3-19-17(15-6-8-16(18)9-7-15)10-12-20-11-4-5-14(2)13-20/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyRGNNRCZISAETLT-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
N-ethyl-1-(3-methylphenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55098798
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
CID 175666594
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine (CID 62617347) is 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine is CCNC(CCN1CCCC(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is RGNNRCZISAETLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-19-17(15-6-8-16(18)9-7-15)10-12-20-11-4-5-14(2)13-20/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine?
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62617347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).