[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

C20H23NO3 — CID 99779198

IUPAC[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESC[C@H]1C[C@H](O)CCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-13-18(22)11-12-21(15)20(23)17-9-7-16(8-10-17)14-24-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18+/m0/s1
InChIKeyURKBHOXZWFCTBR-MAUKXSAKSA-N
MW325.41 g/mol
LogP3.25
Rot. Bonds4

About [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone

[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (PubChem CID 99779198) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
PubChem CID99779198
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
SMILESC[C@H]1C[C@H](O)CCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-13-18(22)11-12-21(15)20(23)17-9-7-16(8-10-17)14-24-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18+/m0/s1
InChIKeyURKBHOXZWFCTBR-MAUKXSAKSA-N
XLogP3.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
CID 136582250
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
benzyl 4-hydroxy-2-methylazepane-1-carboxylate
CID 118230323

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The IUPAC name of [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone (CID 99779198) is [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is C[C@H]1C[C@H](O)CCN1C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
The InChIKey is URKBHOXZWFCTBR-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-13-18(22)11-12-21(15)20(23)17-9-7-16(8-10-17)14-24-19-5-3-2-4-6-19/h2-10,15,18,22H,11-14H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone?
[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 99779198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).