1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol

C18H22N2O — CID 135598116

IUPAC1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol
SMILESCCN1CCC(/N=C/c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O/c1-2-20-11-9-15(10-12-20)19-13-17-16-6-4-3-5-14(16)7-8-18(17)21/h3-8,13,15,21H,2,9-12H2,1H3/b19-13+
InChIKeySUAFCYPVLZOCDO-CPNJWEJPSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds3

About 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol

1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol (PubChem CID 135598116) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol
PubChem CID135598116
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol
SMILESCCN1CCC(/N=C/c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O/c1-2-20-11-9-15(10-12-20)19-13-17-16-6-4-3-5-14(16)7-8-18(17)21/h3-8,13,15,21H,2,9-12H2,1H3/b19-13+
InChIKeySUAFCYPVLZOCDO-CPNJWEJPSA-N
XLogP3.45
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
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 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol (CID 135598116) is 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol is CCN1CCC(/N=C/c2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is SUAFCYPVLZOCDO-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20-11-9-15(10-12-20)19-13-17-16-6-4-3-5-14(16)7-8-18(17)21/h3-8,13,15,21H,2,9-12H2,1H3/b19-13+.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol?
1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 282.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).