2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol

C15H23BrN2O — CID 79879842

IUPAC2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol
SMILESCCC(c1cc(Br)ccc1O)N1CCC(N)C(C)C1
InChIInChI=1S/C15H23BrN2O/c1-3-14(12-8-11(16)4-5-15(12)19)18-7-6-13(17)10(2)9-18/h4-5,8,10,13-14,19H,3,6-7,9,17H2,1-2H3
InChIKeyRILRWFXJRZFUOX-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.27
Rot. Bonds3

About 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol

2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol (PubChem CID 79879842) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol.

Molecular Properties

Compound Name2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol
PubChem CID79879842
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol
SMILESCCC(c1cc(Br)ccc1O)N1CCC(N)C(C)C1
InChIInChI=1S/C15H23BrN2O/c1-3-14(12-8-11(16)4-5-15(12)19)18-7-6-13(17)10(2)9-18/h4-5,8,10,13-14,19H,3,6-7,9,17H2,1-2H3
InChIKeyRILRWFXJRZFUOX-UHFFFAOYSA-N
XLogP3.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
2-[1-[2-(aminomethyl)pyrrolidin-1-yl]propyl]-4-bromophenol
CID 113284186
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
CID 64920939
4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol
CID 82982029
4-bromo-2-[1-(4-ethylazepan-1-yl)ethyl]phenol
CID 82981102
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444
2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
4-bromo-2-[1-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60855843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol?
The IUPAC name of 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol (CID 79879842) is 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol.
What is the SMILES notation for 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol?
The canonical SMILES for 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol is CCC(c1cc(Br)ccc1O)N1CCC(N)C(C)C1.
What is the InChIKey of 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol?
The InChIKey is RILRWFXJRZFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-14(12-8-11(16)4-5-15(12)19)18-7-6-13(17)10(2)9-18/h4-5,8,10,13-14,19H,3,6-7,9,17H2,1-2H3.
What are the key properties of 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol?
2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol has a molecular weight of 327.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-methylpiperidin-1-yl)propyl]-4-bromophenol is sourced from PubChem (CID 79879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).