(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone

C17H23FN2O2 — CID 53391536

IUPAC(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CNCC[C@@H]2O)CC1
InChIInChI=1S/C17H23FN2O2/c18-14-3-1-12(2-4-14)17(22)13-6-9-20(10-7-13)15-11-19-8-5-16(15)21/h1-4,13,15-16,19,21H,5-11H2/t15-,16-/m0/s1
InChIKeyMCQKNTWNRLJIIO-HOTGVXAUSA-N
MW306.38 g/mol
LogP1.44
Rot. Bonds3

About (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone (PubChem CID 53391536) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
PubChem CID53391536
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CNCC[C@@H]2O)CC1
InChIInChI=1S/C17H23FN2O2/c18-14-3-1-12(2-4-14)17(22)13-6-9-20(10-7-13)15-11-19-8-5-16(15)21/h1-4,13,15-16,19,21H,5-11H2/t15-,16-/m0/s1
InChIKeyMCQKNTWNRLJIIO-HOTGVXAUSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
[1-(3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 67993078
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;oxalic acid
CID 53392069
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
[1-(1-benzoyl-3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67993225
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197332
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197563
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696608
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone (CID 53391536) is (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN([C@H]2CNCC[C@@H]2O)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is MCQKNTWNRLJIIO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-3-1-12(2-4-14)17(22)13-6-9-20(10-7-13)15-11-19-8-5-16(15)21/h1-4,13,15-16,19,21H,5-11H2/t15-,16-/m0/s1.
What are the key properties of (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone has a molecular weight of 306.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 53391536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).