1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone

C18H27FN2O — CID 84589062

IUPAC1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNC(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-14(13-17-3-5-18(19)6-4-17)20-10-7-16-8-11-21(12-9-16)15(2)22/h3-6,14,16,20H,7-13H2,1-2H3
InChIKeyQTLAENBWJUIFDW-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone (PubChem CID 84589062) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone
PubChem CID84589062
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCNC(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O/c1-14(13-17-3-5-18(19)6-4-17)20-10-7-16-8-11-21(12-9-16)15(2)22/h3-6,14,16,20H,7-13H2,1-2H3
InChIKeyQTLAENBWJUIFDW-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone (CID 84589062) is 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCNC(C)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone?
The InChIKey is QTLAENBWJUIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-14(13-17-3-5-18(19)6-4-17)20-10-7-16-8-11-21(12-9-16)15(2)22/h3-6,14,16,20H,7-13H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone has a molecular weight of 306.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 84589062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).