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

C14H21BrN2O — CID 102958923

IUPAC1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1O
InChIInChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(10(2)16)7-12(13)15/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m1/s1
InChIKeyGWWJRSHSMLKARI-OPASDULOSA-N
MW313.24 g/mol
LogP2.68
Rot. Bonds2

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

1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol (PubChem CID 102958923) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
PubChem CID102958923
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1O
InChIInChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(10(2)16)7-12(13)15/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m1/s1
InChIKeyGWWJRSHSMLKARI-OPASDULOSA-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

(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958895
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
(1S)-1-[3-bromo-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 63368310
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanol
CID 102959884

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol (CID 102958923) is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol is CC1CCN(c2ccc([C@@H](C)N)cc2Br)CC1O.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol?
The InChIKey is GWWJRSHSMLKARI-OPASDULOSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9-5-6-17(8-14(9)18)13-4-3-11(10(2)16)7-12(13)15/h3-4,7,9-10,14,18H,5-6,8,16H2,1-2H3/t9?,10-,14?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol?
1-[4-[(1R)-1-aminoethyl]-2-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-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).