[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H23FN2O — CID 2933677

IUPAC[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20/h1-2,6,8,15H,3-5,7,9-13H2
InChIKeyDYBZXWAOEUFSKX-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.66
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2933677) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID2933677
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20/h1-2,6,8,15H,3-5,7,9-13H2
InChIKeyDYBZXWAOEUFSKX-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 2933677) is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DYBZXWAOEUFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20/h1-2,6,8,15H,3-5,7,9-13H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2933677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).