1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine

C22H27FN2O — CID 45177170

IUPAC1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESFc1ccc(-c2cccc(N3CCC(NCC4CCCO4)CC3)c2)cc1
InChIInChI=1S/C22H27FN2O/c23-19-8-6-17(7-9-19)18-3-1-4-21(15-18)25-12-10-20(11-13-25)24-16-22-5-2-14-26-22/h1,3-4,6-9,15,20,22,24H,2,5,10-14,16H2
InChIKeyHQDXBWPPUNFIQI-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.23
Rot. Bonds5

About 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine

1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 45177170) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID45177170
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESFc1ccc(-c2cccc(N3CCC(NCC4CCCO4)CC3)c2)cc1
InChIInChI=1S/C22H27FN2O/c23-19-8-6-17(7-9-19)18-3-1-4-21(15-18)25-12-10-20(11-13-25)24-16-22-5-2-14-26-22/h1,3-4,6-9,15,20,22,24H,2,5,10-14,16H2
InChIKeyHQDXBWPPUNFIQI-UHFFFAOYSA-N
XLogP4.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine
CID 29258609
1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 45213648
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110543427
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
N'-[1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl]propane-1,3-diamine
CID 46990673
2-[4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 56854779
2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112944563
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
4-[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 30957525
4-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 17374236

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 45177170) is 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine is Fc1ccc(-c2cccc(N3CCC(NCC4CCCO4)CC3)c2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is HQDXBWPPUNFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-19-8-6-17(7-9-19)18-3-1-4-21(15-18)25-12-10-20(11-13-25)24-16-22-5-2-14-26-22/h1,3-4,6-9,15,20,22,24H,2,5,10-14,16H2.
What are the key properties of 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine?
1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 354.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 45177170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).