2-amino-4-(piperidin-4-ylmethyl)phenol

C12H18N2O — CID 117117856

IUPAC2-amino-4-(piperidin-4-ylmethyl)phenol
SMILESNc1cc(CC2CCNCC2)ccc1O
InChIInChI=1S/C12H18N2O/c13-11-8-10(1-2-12(11)15)7-9-3-5-14-6-4-9/h1-2,8-9,14-15H,3-7,13H2
InChIKeyLZCWSAMEDXAVAW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-4-(piperidin-4-ylmethyl)phenol

2-amino-4-(piperidin-4-ylmethyl)phenol (PubChem CID 117117856) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-4-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(piperidin-4-ylmethyl)phenol
PubChem CID117117856
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-4-(piperidin-4-ylmethyl)phenol
SMILESNc1cc(CC2CCNCC2)ccc1O
InChIInChI=1S/C12H18N2O/c13-11-8-10(1-2-12(11)15)7-9-3-5-14-6-4-9/h1-2,8-9,14-15H,3-7,13H2
InChIKeyLZCWSAMEDXAVAW-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-(piperidin-4-ylmethyl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 2-amino-4-(piperidin-4-ylmethyl)phenol (CID 117117856) is 2-amino-4-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 2-amino-4-(piperidin-4-ylmethyl)phenol is Nc1cc(CC2CCNCC2)ccc1O.
What is the InChIKey of 2-amino-4-(piperidin-4-ylmethyl)phenol?
The InChIKey is LZCWSAMEDXAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-8-10(1-2-12(11)15)7-9-3-5-14-6-4-9/h1-2,8-9,14-15H,3-7,13H2.
What are the key properties of 2-amino-4-(piperidin-4-ylmethyl)phenol?
2-amino-4-(piperidin-4-ylmethyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117117856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).