2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol

C14H20N2O — CID 136654449

IUPAC2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol
SMILESCC1CN(C)CCC1/N=C/c1ccccc1O
InChIInChI=1S/C14H20N2O/c1-11-10-16(2)8-7-13(11)15-9-12-5-3-4-6-14(12)17/h3-6,9,11,13,17H,7-8,10H2,1-2H3/b15-9+
InChIKeyCITJISUQPYCUSR-OQLLNIDSSA-N
MW232.33 g/mol
LogP2.15
Rot. Bonds2

About 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol

2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol (PubChem CID 136654449) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol
PubChem CID136654449
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol
SMILESCC1CN(C)CCC1/N=C/c1ccccc1O
InChIInChI=1S/C14H20N2O/c1-11-10-16(2)8-7-13(11)15-9-12-5-3-4-6-14(12)17/h3-6,9,11,13,17H,7-8,10H2,1-2H3/b15-9+
InChIKeyCITJISUQPYCUSR-OQLLNIDSSA-N
XLogP2.15
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
2-[[(1S,2S)-2-cyclopentylcyclopentyl]iminomethyl]phenol
CID 135513792
2-[(1,1-dioxothiolan-3-yl)iminomethyl]phenol
CID 5150731
2-[[(3R)-1,1-dioxothiolan-3-yl]iminomethyl]phenol
CID 2407869
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
copper;bis(2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)iminomethyl]phenol)
CID 5127710
zinc 2-(methyliminomethyl)phenol
CID 135422153
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol (CID 136654449) is 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol is CC1CN(C)CCC1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol?
The InChIKey is CITJISUQPYCUSR-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-10-16(2)8-7-13(11)15-9-12-5-3-4-6-14(12)17/h3-6,9,11,13,17H,7-8,10H2,1-2H3/b15-9+.
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol?
2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol has a molecular weight of 232.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)iminomethyl]phenol is sourced from PubChem (CID 136654449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).