[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone

C18H19NO3 — CID 51458046

IUPAC[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H19NO3/c20-15-5-4-12-19(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15,20H,4-5,12-13H2/t15-/m1/s1
InChIKeyXRTLHGKAYFRPPO-OAHLLOKOSA-N
MW297.35 g/mol
LogP3.08
Rot. Bonds3

About [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone

[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 51458046) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID51458046
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](O)C1
InChIInChI=1S/C18H19NO3/c20-15-5-4-12-19(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15,20H,4-5,12-13H2/t15-/m1/s1
InChIKeyXRTLHGKAYFRPPO-OAHLLOKOSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 166270023

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone (CID 51458046) is [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is XRTLHGKAYFRPPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO3/c20-15-5-4-12-19(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15,20H,4-5,12-13H2/t15-/m1/s1.
What are the key properties of [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 297.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 51458046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).