1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

C21H24FNO2 — CID 46028699

IUPAC1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO2/c22-19-11-8-18(9-12-19)16-25-20-7-4-14-23(15-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2
InChIKeyRHCPICMPOHDDFR-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.97
Rot. Bonds6

About 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one

1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 46028699) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID46028699
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FNO2/c22-19-11-8-18(9-12-19)16-25-20-7-4-14-23(15-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2
InChIKeyRHCPICMPOHDDFR-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one (CID 46028699) is 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCCC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RHCPICMPOHDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-19-11-8-18(9-12-19)16-25-20-7-4-14-23(15-20)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2.
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one?
1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 341.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 46028699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).