1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine

C18H20ClNO — CID 54430893

IUPAC1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine
SMILESClc1ccc(-c2ccc(CON3CCCCC3)cc2)cc1
InChIInChI=1S/C18H20ClNO/c19-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-21-20-12-2-1-3-13-20/h4-11H,1-3,12-14H2
InChIKeyWHJYSKKYYRUTON-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.92
Rot. Bonds4

About 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine

1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine (PubChem CID 54430893) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine
PubChem CID54430893
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine
SMILESClc1ccc(-c2ccc(CON3CCCCC3)cc2)cc1
InChIInChI=1S/C18H20ClNO/c19-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-21-20-12-2-1-3-13-20/h4-11H,1-3,12-14H2
InChIKeyWHJYSKKYYRUTON-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine?
The IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine (CID 54430893) is 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine?
The canonical SMILES for 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine is Clc1ccc(-c2ccc(CON3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine?
The InChIKey is WHJYSKKYYRUTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-21-20-12-2-1-3-13-20/h4-11H,1-3,12-14H2.
What are the key properties of 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine?
1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 54430893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).