(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol

C17H25FN2O — CID 72893871

IUPAC(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@]1(C)O
InChIInChI=1S/C17H25FN2O/c1-13-11-20(12-17(13,2)21)14-7-9-19(10-8-14)16-6-4-3-5-15(16)18/h3-6,13-14,21H,7-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyJGYVXMSDKCTUAP-DYVFJYSZSA-N
MW292.40 g/mol
LogP2.50
Rot. Bonds2

About (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72893871) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol
PubChem CID72893871
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol
SMILESC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@]1(C)O
InChIInChI=1S/C17H25FN2O/c1-13-11-20(12-17(13,2)21)14-7-9-19(10-8-14)16-6-4-3-5-15(16)18/h3-6,13-14,21H,7-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyJGYVXMSDKCTUAP-DYVFJYSZSA-N
XLogP2.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol (CID 72893871) is (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol is C[C@@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is JGYVXMSDKCTUAP-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-11-20(12-17(13,2)21)14-7-9-19(10-8-14)16-6-4-3-5-15(16)18/h3-6,13-14,21H,7-12H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 292.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[1-(2-fluorophenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).