1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine

C18H26FNO2 — CID 71976758

IUPAC1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine
SMILESFc1ccccc1CN1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C18H26FNO2/c19-18-7-2-1-5-15(18)13-20-10-8-16(9-11-20)22-14-17-6-3-4-12-21-17/h1-2,5,7,16-17H,3-4,6,8-14H2
InChIKeyIHDICCHDPIYIBM-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.38
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine

1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine (PubChem CID 71976758) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine
PubChem CID71976758
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine
SMILESFc1ccccc1CN1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C18H26FNO2/c19-18-7-2-1-5-15(18)13-20-10-8-16(9-11-20)22-14-17-6-3-4-12-21-17/h1-2,5,7,16-17H,3-4,6,8-14H2
InChIKeyIHDICCHDPIYIBM-UHFFFAOYSA-N
XLogP3.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine (CID 71976758) is 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine is Fc1ccccc1CN1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine?
The InChIKey is IHDICCHDPIYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c19-18-7-2-1-5-15(18)13-20-10-8-16(9-11-20)22-14-17-6-3-4-12-21-17/h1-2,5,7,16-17H,3-4,6,8-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine?
1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine has a molecular weight of 307.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine is sourced from PubChem (CID 71976758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).