1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol

C16H25BrN2O — CID 102958887

IUPAC1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCCNC(C)c1cc(Br)ccc1N1CCC(C)C(O)C1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(3)14-9-13(17)5-6-15(14)19-8-7-11(2)16(20)10-19/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyBJRNFGYGAVZSQA-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol

1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (PubChem CID 102958887) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
PubChem CID102958887
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCCNC(C)c1cc(Br)ccc1N1CCC(C)C(O)C1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(3)14-9-13(17)5-6-15(14)19-8-7-11(2)16(20)10-19/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyBJRNFGYGAVZSQA-UHFFFAOYSA-N
XLogP3.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (CID 102958887) is 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is CCNC(C)c1cc(Br)ccc1N1CCC(C)C(O)C1.
What is the InChIKey of 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The InChIKey is BJRNFGYGAVZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-18-12(3)14-9-13(17)5-6-15(14)19-8-7-11(2)16(20)10-19/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol has a molecular weight of 341.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).