[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone

C23H28N2O3 — CID 24817881

IUPAC[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C23H28N2O3/c26-20-9-12-24(13-10-20)21-11-14-25(16-22(21)27)23(28)19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-8,15,20-22,26-27H,9-14,16H2/t21-,22-/m1/s1
InChIKeyCLXLCRPNPFIIHX-FGZHOGPDSA-N
MW380.49 g/mol
LogP2.39
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone

[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone (PubChem CID 24817881) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone
PubChem CID24817881
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C23H28N2O3/c26-20-9-12-24(13-10-20)21-11-14-25(16-22(21)27)23(28)19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-8,15,20-22,26-27H,9-14,16H2/t21-,22-/m1/s1
InChIKeyCLXLCRPNPFIIHX-FGZHOGPDSA-N
XLogP2.39
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]methanone
CID 53391632
[(4aR,6R,7R,8aR)-6-Hydroxy-7-(4-phenyl-piperidin-1-yl)-octahydro-quinolin-1-yl]-phenyl-methanone
CID 9957260
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 10316732
N,N-Diethyl-4-{[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl-methyl}-benzamide
CID 44276042
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 49861239
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 49861246
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 49861248
[(3R,4R)-4-hydroxy-3-(4-phenylpiperidin-1-yl)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 49861252
[1-[(3S,4S)-1-benzyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53391634
[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53391833
(4-fluorophenyl)-[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
CID 53391838

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone (CID 24817881) is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone?
The InChIKey is CLXLCRPNPFIIHX-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-20-9-12-24(13-10-20)21-11-14-25(16-22(21)27)23(28)19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-8,15,20-22,26-27H,9-14,16H2/t21-,22-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone?
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylphenyl)methanone is sourced from PubChem (CID 24817881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).