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

C16H25BrN2O — CID 62618442

IUPAC1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
SMILESCCNC(CCN1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(20)12-19/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyBVKZDPWXWMPNJW-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.95
Rot. Bonds6

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

1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol (PubChem CID 62618442) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
PubChem CID62618442
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
SMILESCCNC(CCN1CCCC(O)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(20)12-19/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyBVKZDPWXWMPNJW-UHFFFAOYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
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
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
CID 62619810
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol (CID 62618442) is 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol is CCNC(CCN1CCCC(O)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol?
The InChIKey is BVKZDPWXWMPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-2-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-4-15(20)12-19/h5-8,15-16,18,20H,2-4,9-12H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol?
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol has a molecular weight of 341.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol is sourced from PubChem (CID 62618442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).