1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol

C17H27BrN2O — CID 102966991

IUPAC1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
SMILESCCNC(CCN1CCC(C)C(O)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-3-19-16(14-6-4-5-7-15(14)18)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyZJWUYTHUPVWGHT-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.19
Rot. Bonds6

About 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol

1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol (PubChem CID 102966991) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
PubChem CID102966991
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
SMILESCCNC(CCN1CCC(C)C(O)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-3-19-16(14-6-4-5-7-15(14)18)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3
InChIKeyZJWUYTHUPVWGHT-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911
1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
CID 62630064
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62629250
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol (CID 102966991) is 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol is CCNC(CCN1CCC(C)C(O)C1)c1ccccc1Br.
What is the InChIKey of 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
The InChIKey is ZJWUYTHUPVWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-19-16(14-6-4-5-7-15(14)18)9-11-20-10-8-13(2)17(21)12-20/h4-7,13,16-17,19,21H,3,8-12H2,1-2H3.
What are the key properties of 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol?
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol has a molecular weight of 355.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102966991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).