4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol

C19H22N2O2 — CID 155556840

IUPAC4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,22-23H,8-11,14H2/b20-13+
InChIKeyNGERANTYJBWJKM-DEDYPNTBSA-N
MW310.40 g/mol
LogP3.18
Rot. Bonds4

About 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol

4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol (PubChem CID 155556840) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol
PubChem CID155556840
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H22N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,22-23H,8-11,14H2/b20-13+
InChIKeyNGERANTYJBWJKM-DEDYPNTBSA-N
XLogP3.18
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol (CID 155556840) is 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol?
The InChIKey is NGERANTYJBWJKM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,22-23H,8-11,14H2/b20-13+.
What are the key properties of 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol?
4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol has a molecular weight of 310.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 155556840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).