(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone

C18H23F2NO2 — CID 20637717

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C18H23F2NO2/c19-17(20)10-9-15(13-17)18(23,14-7-3-1-4-8-14)16(22)21-11-5-2-6-12-21/h1,3-4,7-8,15,23H,2,5-6,9-13H2/t15-,18+/m1/s1
InChIKeySCYRVIRWQBMYHG-QAPCUYQASA-N
MW323.38 g/mol
LogP3.32
Rot. Bonds3

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 20637717) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
PubChem CID20637717
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(N1CCCCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C18H23F2NO2/c19-17(20)10-9-15(13-17)18(23,14-7-3-1-4-8-14)16(22)21-11-5-2-6-12-21/h1,3-4,7-8,15,23H,2,5-6,9-13H2/t15-,18+/m1/s1
InChIKeySCYRVIRWQBMYHG-QAPCUYQASA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
(R)-1-(4-Aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 15888011
AE9C90CB
CID 9862598
(R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309231
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291
(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide
CID 9821459
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10597259
N-(1-Cyclooctylmethyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10598540
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10622033
N-(1-Cycloheptylmethyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10671167
(2R)-2-[(1S,3R)-3-fluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 10716120

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone (CID 20637717) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone is O=C(N1CCCCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is SCYRVIRWQBMYHG-QAPCUYQASA-N. The full InChI is InChI=1S/C18H23F2NO2/c19-17(20)10-9-15(13-17)18(23,14-7-3-1-4-8-14)16(22)21-11-5-2-6-12-21/h1,3-4,7-8,15,23H,2,5-6,9-13H2/t15-,18+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 323.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 20637717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).