4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol

C15H23NO3 — CID 26227

IUPAC4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol
SMILESCCC(NC1CCCC1)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-2-12(16-11-5-3-4-6-11)15(19)10-7-8-13(17)14(18)9-10/h7-9,11-12,15-19H,2-6H2,1H3
InChIKeyFEYMRICSONQYOT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.44
Rot. Bonds5

About 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol

4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol (PubChem CID 26227) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol
PubChem CID26227
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol
SMILESCCC(NC1CCCC1)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C15H23NO3/c1-2-12(16-11-5-3-4-6-11)15(19)10-7-8-13(17)14(18)9-10/h7-9,11-12,15-19H,2-6H2,1H3
InChIKeyFEYMRICSONQYOT-UHFFFAOYSA-N
XLogP2.44
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Epinephrine
CID 5816
Phenylephrine
CID 6041
Norepinephrine
CID 439260
Isoproterenol
CID 3779
Terbutaline
CID 5403
Nylidrin
CID 4567
Fenoterol
CID 3343
Dobutamine
CID 36811
Metaproterenol
CID 4086
(+-)-Adrenaline
CID 838
Etilefrine
CID 3306
Isoetharine
CID 3762

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol?
The IUPAC name of 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol (CID 26227) is 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol is CCC(NC1CCCC1)C(O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol?
The InChIKey is FEYMRICSONQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-12(16-11-5-3-4-6-11)15(19)10-7-8-13(17)14(18)9-10/h7-9,11-12,15-19H,2-6H2,1H3.
What are the key properties of 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol?
4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)-1-hydroxybutyl]benzene-1,2-diol is sourced from PubChem (CID 26227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).