5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

C20H27N5O — CID 1356395

IUPAC5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(C=NN2CCN(c3ccccn3)CC2)c(O)c1
InChIInChI=1S/C20H27N5O/c1-3-23(4-2)18-9-8-17(19(26)15-18)16-22-25-13-11-24(12-14-25)20-7-5-6-10-21-20/h5-10,15-16,26H,3-4,11-14H2,1-2H3
InChIKeyLATNZNGZFSHVLP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds6

About 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol

5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 1356395) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
PubChem CID1356395
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
SMILESCCN(CC)c1ccc(C=NN2CCN(c3ccccn3)CC2)c(O)c1
InChIInChI=1S/C20H27N5O/c1-3-23(4-2)18-9-8-17(19(26)15-18)16-22-25-13-11-24(12-14-25)20-7-5-6-10-21-20/h5-10,15-16,26H,3-4,11-14H2,1-2H3
InChIKeyLATNZNGZFSHVLP-UHFFFAOYSA-N
XLogP2.79
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol (CID 1356395) is 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is CCN(CC)c1ccc(C=NN2CCN(c3ccccn3)CC2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is LATNZNGZFSHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-23(4-2)18-9-8-17(19(26)15-18)16-22-25-13-11-24(12-14-25)20-7-5-6-10-21-20/h5-10,15-16,26H,3-4,11-14H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol?
5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 353.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 1356395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).