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

C14H21BrN2O — CID 102958926

IUPAC1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
SMILESCC(N)c1cc(Br)ccc1N1CCC(C)C(O)C1
InChIInChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3
InChIKeyOBRUZUFNBYODJD-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.68
Rot. Bonds2

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

1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol (PubChem CID 102958926) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
PubChem CID102958926
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
SMILESCC(N)c1cc(Br)ccc1N1CCC(C)C(O)C1
InChIInChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3
InChIKeyOBRUZUFNBYODJD-UHFFFAOYSA-N
XLogP2.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromophenyl]ethanamine
CID 82968823
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 82972368
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[2-(1-aminoethyl)-4-bromophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 82968401
6-[2-(1-aminoethyl)-4-bromophenyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82955267
4-[2-(1-aminoethyl)-4-bromophenyl]morpholine-2-carbonitrile
CID 82968886

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol (CID 102958926) is 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol is CC(N)c1cc(Br)ccc1N1CCC(C)C(O)C1.
What is the InChIKey of 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol?
The InChIKey is OBRUZUFNBYODJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(15)7-12(13)10(2)16/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3.
What are the key properties of 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol?
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol has a molecular weight of 313.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).