4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol

C13H17ClN2O — CID 135513787

IUPAC4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CC1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-12-1-2-13(17)11(7-12)9-16-8-10-3-5-15-6-4-10/h1-2,7,9-10,15,17H,3-6,8H2/b16-9+
InChIKeyHOZLRRKDEXGYNW-CXUHLZMHSA-N
MW252.74 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol

4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol (PubChem CID 135513787) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
PubChem CID135513787
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol
SMILESOc1ccc(Cl)cc1/C=N/CC1CCNCC1
InChIInChI=1S/C13H17ClN2O/c14-12-1-2-13(17)11(7-12)9-16-8-10-3-5-15-6-4-10/h1-2,7,9-10,15,17H,3-6,8H2/b16-9+
InChIKeyHOZLRRKDEXGYNW-CXUHLZMHSA-N
XLogP2.46
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol?
The IUPAC name of 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol (CID 135513787) is 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol is Oc1ccc(Cl)cc1/C=N/CC1CCNCC1.
What is the InChIKey of 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol?
The InChIKey is HOZLRRKDEXGYNW-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-1-2-13(17)11(7-12)9-16-8-10-3-5-15-6-4-10/h1-2,7,9-10,15,17H,3-6,8H2/b16-9+.
What are the key properties of 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol?
4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol has a molecular weight of 252.74 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(piperidin-4-ylmethyliminomethyl)phenol is sourced from PubChem (CID 135513787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).