1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide

C14H19BrN2O2 — CID 78940404

IUPAC1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1
InChIKeyLYQPTZJVVXWORB-CGCSKFHYSA-N
MW327.22 g/mol
LogP2.35
Rot. Bonds3

About 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide

1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide (PubChem CID 78940404) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
PubChem CID78940404
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1
InChIKeyLYQPTZJVVXWORB-CGCSKFHYSA-N
XLogP2.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.35
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-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325
(1R)-1-[3-bromo-4-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 104891570
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
1-[3-bromo-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanol
CID 62912700
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056041
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
(1S)-1-[3-bromo-4-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939883
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 78935524

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide (CID 78940404) is 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide is C[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(Br)c1.
What is the InChIKey of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The InChIKey is LYQPTZJVVXWORB-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1.
What are the key properties of 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 78940404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).