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

C13H19BrN2O — CID 78934473

IUPAC1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1
InChIKeyBLSCJUFPOPMSNV-BFHBGLAWSA-N
MW299.21 g/mol
LogP2.43
Rot. Bonds2

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

1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol (PubChem CID 78934473) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
PubChem CID78934473
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1
InChIKeyBLSCJUFPOPMSNV-BFHBGLAWSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-4-methylpiperidin-3-ol
CID 102958923
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol (CID 78934473) is 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol is C[C@@H](N)c1ccc(N2CCCC(O)C2)c(Br)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol?
The InChIKey is BLSCJUFPOPMSNV-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(15)10-4-5-13(12(14)7-10)16-6-2-3-11(17)8-16/h4-5,7,9,11,17H,2-3,6,8,15H2,1H3/t9-,11?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol?
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol has a molecular weight of 299.21 g/mol, XLogP of 2.43, 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]piperidin-3-ol is sourced from PubChem (CID 78934473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).