1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine

C20H23ClFNO — CID 134827914

IUPAC1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine
SMILESFC1CCCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO/c21-18-10-8-17(9-11-18)20(16-5-2-1-3-6-16)24-14-13-23-12-4-7-19(22)15-23/h1-3,5-6,8-11,19-20H,4,7,12-15H2
InChIKeyMQRNBEAPCLYEES-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.88
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine

1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine (PubChem CID 134827914) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine
PubChem CID134827914
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine
SMILESFC1CCCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO/c21-18-10-8-17(9-11-18)20(16-5-2-1-3-6-16)24-14-13-23-12-4-7-19(22)15-23/h1-3,5-6,8-11,19-20H,4,7,12-15H2
InChIKeyMQRNBEAPCLYEES-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine?
The IUPAC name of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine (CID 134827914) is 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine?
The canonical SMILES for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine is FC1CCCN(CCOC(c2ccccc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine?
The InChIKey is MQRNBEAPCLYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO/c21-18-10-8-17(9-11-18)20(16-5-2-1-3-6-16)24-14-13-23-12-4-7-19(22)15-23/h1-3,5-6,8-11,19-20H,4,7,12-15H2.
What are the key properties of 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine?
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine has a molecular weight of 347.86 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-3-fluoropiperidine is sourced from PubChem (CID 134827914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).