3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one

C23H29FN2O — CID 15085639

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c24-22-8-6-21(7-9-22)23(27)11-15-25-14-10-19-12-16-26(17-13-19)18-20-4-2-1-3-5-20/h1-9,19,25H,10-18H2
InChIKeyUFOWHYNTTXIVIF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.29
Rot. Bonds9

About 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one

3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one (PubChem CID 15085639) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one
PubChem CID15085639
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c24-22-8-6-21(7-9-22)23(27)11-15-25-14-10-19-12-16-26(17-13-19)18-20-4-2-1-3-5-20/h1-9,19,25H,10-18H2
InChIKeyUFOWHYNTTXIVIF-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one (CID 15085639) is 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one is O=C(CCNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is UFOWHYNTTXIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c24-22-8-6-21(7-9-22)23(27)11-15-25-14-10-19-12-16-26(17-13-19)18-20-4-2-1-3-5-20/h1-9,19,25H,10-18H2.
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one?
3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 368.50 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethylamino]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 15085639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).