4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)

C26H32FNY3 — CID 161180577

IUPAC4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)
SMILESC[C@H]1CCCC[C@@]12C=Cc1ccccc12.Fc1ccc(C2CCNCC2)cc1.[Y].[Y].[Y]
InChIInChI=1S/C15H18.C11H14FN.3Y/c1-12-6-4-5-10-15(12)11-9-13-7-2-3-8-14(13)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;;;/h2-3,7-9,11-12H,4-6,10H2,1H3;1-4,10,13H,5-8H2;;;/t12-,15+;;;;/m0..../s1
InChIKeyUSJXHCVKLNNYEU-VUXFJIQYSA-N
MW644.26 g/mol
LogP6.45
Rot. Bonds1

About 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)

4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium) (PubChem CID 161180577) has the molecular formula C26H32FNY3 and a molecular weight of 644.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium).

Molecular Properties

Compound Name4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)
PubChem CID161180577
Molecular FormulaC26H32FNY3
Molecular Weight644.26 g/mol
Exact Mass643.97
IUPAC Name4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)
SMILESC[C@H]1CCCC[C@@]12C=Cc1ccccc12.Fc1ccc(C2CCNCC2)cc1.[Y].[Y].[Y]
InChIInChI=1S/C15H18.C11H14FN.3Y/c1-12-6-4-5-10-15(12)11-9-13-7-2-3-8-14(13)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;;;/h2-3,7-9,11-12H,4-6,10H2,1H3;1-4,10,13H,5-8H2;;;/t12-,15+;;;;/m0..../s1
InChIKeyUSJXHCVKLNNYEU-VUXFJIQYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.26
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)?
The IUPAC name of 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium) (CID 161180577) is 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium).
What is the SMILES notation for 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)?
The canonical SMILES for 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium) is C[C@H]1CCCC[C@@]12C=Cc1ccccc12.Fc1ccc(C2CCNCC2)cc1.[Y].[Y].[Y].
What is the InChIKey of 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)?
The InChIKey is USJXHCVKLNNYEU-VUXFJIQYSA-N. The full InChI is InChI=1S/C15H18.C11H14FN.3Y/c1-12-6-4-5-10-15(12)11-9-13-7-2-3-8-14(13)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;;;/h2-3,7-9,11-12H,4-6,10H2,1H3;1-4,10,13H,5-8H2;;;/t12-,15+;;;;/m0..../s1.
What are the key properties of 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium)?
4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium) has a molecular weight of 644.26 g/mol, XLogP of 6.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)piperidine;(1S,2S)-2-methylspiro[cyclohexane-1,1'-indene];tris(yttrium) is sourced from PubChem (CID 161180577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).