N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine

C19H21ClN2O — CID 46881705

IUPACN-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
SMILESCN1CCC(=NOC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-22-13-11-18(12-14-22)21-23-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,19H,11-14H2,1H3
InChIKeyGUYPHEIUWKYXSC-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.53
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine

N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine (PubChem CID 46881705) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
PubChem CID46881705
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
SMILESCN1CCC(=NOC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-22-13-11-18(12-14-22)21-23-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,19H,11-14H2,1H3
InChIKeyGUYPHEIUWKYXSC-UHFFFAOYSA-N
XLogP4.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.53
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-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine (CID 46881705) is N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine is CN1CCC(=NOC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine?
The InChIKey is GUYPHEIUWKYXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22-13-11-18(12-14-22)21-23-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,19H,11-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine?
N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine has a molecular weight of 328.84 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine is sourced from PubChem (CID 46881705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).