N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine

C20H24N2O — CID 141214772

IUPACN-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine
SMILESCc1cc(Oc2ccccc2)c(C)cc1/N=C/N1CCCCC1
InChIInChI=1S/C20H24N2O/c1-16-14-20(23-18-9-5-3-6-10-18)17(2)13-19(16)21-15-22-11-7-4-8-12-22/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b21-15+
InChIKeyOKLDXAPYIRHDNS-RCCKNPSSSA-N
MW308.43 g/mol
LogP5.24
Rot. Bonds4

About N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine

N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine (PubChem CID 141214772) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine
PubChem CID141214772
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine
SMILESCc1cc(Oc2ccccc2)c(C)cc1/N=C/N1CCCCC1
InChIInChI=1S/C20H24N2O/c1-16-14-20(23-18-9-5-3-6-10-18)17(2)13-19(16)21-15-22-11-7-4-8-12-22/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b21-15+
InChIKeyOKLDXAPYIRHDNS-RCCKNPSSSA-N
XLogP5.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine (CID 141214772) is N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine is Cc1cc(Oc2ccccc2)c(C)cc1/N=C/N1CCCCC1.
What is the InChIKey of N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine?
The InChIKey is OKLDXAPYIRHDNS-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-14-20(23-18-9-5-3-6-10-18)17(2)13-19(16)21-15-22-11-7-4-8-12-22/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3/b21-15+.
What are the key properties of N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine?
N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine has a molecular weight of 308.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-phenoxyphenyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 141214772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).