4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine

C21H26FNO — CID 71784906

IUPAC4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1CN1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FNO/c1-17-4-2-3-5-20(17)14-23-12-10-19(11-13-23)16-24-15-18-6-8-21(22)9-7-18/h2-9,19H,10-16H2,1H3
InChIKeyKGLDNMSXBMKJNL-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.56
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine

4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine (PubChem CID 71784906) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine
PubChem CID71784906
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine
SMILESCc1ccccc1CN1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FNO/c1-17-4-2-3-5-20(17)14-23-12-10-19(11-13-23)16-24-15-18-6-8-21(22)9-7-18/h2-9,19H,10-16H2,1H3
InChIKeyKGLDNMSXBMKJNL-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine (CID 71784906) is 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine is Cc1ccccc1CN1CCC(COCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine?
The InChIKey is KGLDNMSXBMKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-17-4-2-3-5-20(17)14-23-12-10-19(11-13-23)16-24-15-18-6-8-21(22)9-7-18/h2-9,19H,10-16H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine?
4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine has a molecular weight of 327.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-1-[(2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 71784906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).