[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone

C20H23NO2 — CID 125171560

IUPAC[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H23NO2/c1-23-15-16-7-5-10-18(13-16)20(22)21-12-6-11-19(14-21)17-8-3-2-4-9-17/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyWCRCUOSFDOEJQI-IBGZPJMESA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds4

About [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone

[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone (PubChem CID 125171560) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
PubChem CID125171560
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H23NO2/c1-23-15-16-7-5-10-18(13-16)20(22)21-12-6-11-19(14-21)17-8-3-2-4-9-17/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3/t19-/m0/s1
InChIKeyWCRCUOSFDOEJQI-IBGZPJMESA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779039
[3-(methoxymethyl)phenyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779038
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
CID 119639155
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
2-[acetyl-[(4R)-1-[3-(methoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129342522
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone (CID 125171560) is [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone is COCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is WCRCUOSFDOEJQI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-15-16-7-5-10-18(13-16)20(22)21-12-6-11-19(14-21)17-8-3-2-4-9-17/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3/t19-/m0/s1.
What are the key properties of [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone?
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 125171560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).