N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine

C27H29ClN2O — CID 11517654

IUPACN-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Cl)C(C)C(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C27H29ClN2O/c1-19-25(29-31-18-23-16-10-11-17-24(23)28)20(2)27(22-14-8-5-9-15-22)30(3)26(19)21-12-6-4-7-13-21/h4-17,19-20,26-27H,18H2,1-3H3
InChIKeyQAMBHBZGODRPGY-UHFFFAOYSA-N
MW433.00 g/mol
LogP6.91
Rot. Bonds5

About N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine

N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine (PubChem CID 11517654) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine
PubChem CID11517654
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC NameN-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Cl)C(C)C(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C27H29ClN2O/c1-19-25(29-31-18-23-16-10-11-17-24(23)28)20(2)27(22-14-8-5-9-15-22)30(3)26(19)21-12-6-4-7-13-21/h4-17,19-20,26-27H,18H2,1-3H3
InChIKeyQAMBHBZGODRPGY-UHFFFAOYSA-N
XLogP6.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine (CID 11517654) is N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine is CC1C(=NOCc2ccccc2Cl)C(C)C(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is QAMBHBZGODRPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O/c1-19-25(29-31-18-23-16-10-11-17-24(23)28)20(2)27(22-14-8-5-9-15-22)30(3)26(19)21-12-6-4-7-13-21/h4-17,19-20,26-27H,18H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine?
N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 433.00 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 11517654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).