4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol

C19H22N2O — CID 155524198

IUPAC4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
SMILESOc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O/c22-19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18,22H,10-13,15H2/b20-14+
InChIKeyMMNQEFJTQDLXSH-XSFVSMFZSA-N
MW294.40 g/mol
LogP3.48
Rot. Bonds4

About 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol

4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol (PubChem CID 155524198) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
PubChem CID155524198
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
SMILESOc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O/c22-19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18,22H,10-13,15H2/b20-14+
InChIKeyMMNQEFJTQDLXSH-XSFVSMFZSA-N
XLogP3.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
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-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol (CID 155524198) is 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol is Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The InChIKey is MMNQEFJTQDLXSH-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19-8-6-16(7-9-19)14-20-18-10-12-21(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18,22H,10-13,15H2/b20-14+.
What are the key properties of 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol has a molecular weight of 294.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)iminomethyl]phenol is sourced from PubChem (CID 155524198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).