1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol

C15H22BrFN2O — CID 110906464

IUPAC1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H22BrFN2O/c16-13-2-3-15(17)12(10-13)11-18-6-1-7-19-8-4-14(20)5-9-19/h2-3,10,14,18,20H,1,4-9,11H2
InChIKeyKAMYFUWLRSSZGU-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.52
Rot. Bonds6

About 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol

1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 110906464) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
PubChem CID110906464
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H22BrFN2O/c16-13-2-3-15(17)12(10-13)11-18-6-1-7-19-8-4-14(20)5-9-19/h2-3,10,14,18,20H,1,4-9,11H2
InChIKeyKAMYFUWLRSSZGU-UHFFFAOYSA-N
XLogP2.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115761559
N-[(2,4-dibromophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107938811
5-[(5-bromo-2-fluorophenyl)methylamino]pentan-2-one
CID 115236526
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol
CID 109379748
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloropentan-1-amine
CID 106122067
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol (CID 110906464) is 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is KAMYFUWLRSSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c16-13-2-3-15(17)12(10-13)11-18-6-1-7-19-8-4-14(20)5-9-19/h2-3,10,14,18,20H,1,4-9,11H2.
What are the key properties of 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol?
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 345.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 110906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).