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

C18H25FN2O — CID 3718342

IUPAC[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21/h2-3,7,9,16H,1,4-6,8,10-14H2
InChIKeyFYFRKLHNAOOZII-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.05
Rot. Bonds3

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

[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3718342) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID3718342
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCCC1
InChIInChI=1S/C18H25FN2O/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21/h2-3,7,9,16H,1,4-6,8,10-14H2
InChIKeyFYFRKLHNAOOZII-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.05
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]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (CID 3718342) is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCCCC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is FYFRKLHNAOOZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-9-3-2-7-15(17)13-20-10-6-8-16(14-20)18(22)21-11-4-1-5-12-21/h2-3,7,9,16H,1,4-6,8,10-14H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 304.41 g/mol, XLogP of 3.05, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 3718342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).