5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol

C19H21ClN2O2 — CID 126251493

IUPAC5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
SMILESCOc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Cl)cc1O
InChIInChI=1S/C19H21ClN2O2/c1-24-19-12-16(22-9-3-2-4-10-22)7-5-14(19)13-21-17-8-6-15(20)11-18(17)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+
InChIKeyQSFPYMQUQOBJRA-FYJGNVAPSA-N
MW344.84 g/mol
LogP4.80
Rot. Bonds4

About 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol

5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol (PubChem CID 126251493) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
PubChem CID126251493
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol
SMILESCOc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Cl)cc1O
InChIInChI=1S/C19H21ClN2O2/c1-24-19-12-16(22-9-3-2-4-10-22)7-5-14(19)13-21-17-8-6-15(20)11-18(17)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+
InChIKeyQSFPYMQUQOBJRA-FYJGNVAPSA-N
XLogP4.80
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol?
The IUPAC name of 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol (CID 126251493) is 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol.
What is the SMILES notation for 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol?
The canonical SMILES for 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol is COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol?
The InChIKey is QSFPYMQUQOBJRA-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-19-12-16(22-9-3-2-4-10-22)7-5-14(19)13-21-17-8-6-15(20)11-18(17)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+.
What are the key properties of 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol?
5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol has a molecular weight of 344.84 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenol is sourced from PubChem (CID 126251493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).