1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide

C14H20BrN3O — CID 78936049

IUPAC1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1
InChIKeyMCMDKRPOZCIFTI-BFHBGLAWSA-N
MW326.24 g/mol
LogP2.17
Rot. Bonds3

About 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide

1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide (PubChem CID 78936049) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
PubChem CID78936049
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1
InChIKeyMCMDKRPOZCIFTI-BFHBGLAWSA-N
XLogP2.17
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 78935524
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 63368743
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
1-[4-[4-(1-aminoethyl)-2-bromophenyl]piperazin-1-yl]ethanone
CID 62907807
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide (CID 78936049) is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide is C[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Br)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide?
The InChIKey is MCMDKRPOZCIFTI-BFHBGLAWSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide?
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.17, 3 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]piperidine-3-carboxamide is sourced from PubChem (CID 78936049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).