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

C16H25BrN2O — CID 102958895

IUPAC1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCCNC(C)c1ccc(N2CCC(C)C(O)C2)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)19-8-7-11(2)16(20)10-19/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyWBVIWYLBNANGDI-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.33
Rot. Bonds4

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

1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (PubChem CID 102958895) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
PubChem CID102958895
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCCNC(C)c1ccc(N2CCC(C)C(O)C2)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)19-8-7-11(2)16(20)10-19/h5-6,9,11-12,16,18,20H,4,7-8,10H2,1-3H3
InChIKeyWBVIWYLBNANGDI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 102958984
1-[3-bromo-4-(3-methylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 62909668
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958837
1-[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylethanamine
CID 62909723
1-[4-[1-(ethylamino)ethyl]-2-pyridinyl]-4-methylpiperidin-3-ol
CID 102958933
1-[1-[2-bromo-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 115965448
1-[3-bromo-4-(4-ethylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 62908315
1-[2-bromo-4-[1-(propylamino)ethyl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164194
4-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-1-methylpiperazin-2-one
CID 64693647
N-[1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethyl]propan-1-amine
CID 63622984

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (CID 102958895) is 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is CCNC(C)c1ccc(N2CCC(C)C(O)C2)c(Br)c1.
What is the InChIKey of 1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The InChIKey is WBVIWYLBNANGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-18-12(3)13-5-6-15(14(17)9-13)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-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
1-[2-bromo-4-[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-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).