[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)

C12H15FNORb — CID 58878699

IUPAC[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)
SMILESOC[C@H]1C[N-]CC[C@@H]1c1ccc(F)cc1.[Rb+]
InChIInChI=1S/C12H15FNO.Rb/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,15H,5-8H2;/q-1;+1/t10-,12-;/m1./s1
InChIKeyJXRVFMLYMOOZEX-MHDYBILJSA-N
MW293.72 g/mol
LogP-0.70
Rot. Bonds2

About [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)

[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+) (PubChem CID 58878699) has the molecular formula C12H15FNORb and a molecular weight of 293.72 g/mol. Its IUPAC name is [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+).

Molecular Properties

Compound Name[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)
PubChem CID58878699
Molecular FormulaC12H15FNORb
Molecular Weight293.72 g/mol
Exact Mass293.03
IUPAC Name[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)
SMILESOC[C@H]1C[N-]CC[C@@H]1c1ccc(F)cc1.[Rb+]
InChIInChI=1S/C12H15FNO.Rb/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,15H,5-8H2;/q-1;+1/t10-,12-;/m1./s1
InChIKeyJXRVFMLYMOOZEX-MHDYBILJSA-N
XLogP-0.70
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)?
The IUPAC name of [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+) (CID 58878699) is [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+).
What is the SMILES notation for [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)?
The canonical SMILES for [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+) is OC[C@H]1C[N-]CC[C@@H]1c1ccc(F)cc1.[Rb+].
What is the InChIKey of [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)?
The InChIKey is JXRVFMLYMOOZEX-MHDYBILJSA-N. The full InChI is InChI=1S/C12H15FNO.Rb/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;/h1-4,10,12,15H,5-8H2;/q-1;+1/t10-,12-;/m1./s1.
What are the key properties of [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+)?
[(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+) has a molecular weight of 293.72 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(4-fluorophenyl)piperidin-1-id-3-yl]methanol;rubidium(1+) is sourced from PubChem (CID 58878699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).