1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone

C26H27NO3 — CID 11632745

IUPAC1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1cccc(C2(O)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C26H27NO3/c1-30-23-15-8-14-22(18-23)26(29)16-9-17-27(19-26)25(28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,18,24,29H,9,16-17,19H2,1H3
InChIKeyYCUDSPSEJCELMT-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.34
Rot. Bonds5

About 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone

1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 11632745) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
PubChem CID11632745
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1cccc(C2(O)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C26H27NO3/c1-30-23-15-8-14-22(18-23)26(29)16-9-17-27(19-26)25(28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,18,24,29H,9,16-17,19H2,1H3
InChIKeyYCUDSPSEJCELMT-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
S-tert-butyl 4-hydroxy-4-(3-methoxyphenyl)azepane-1-carbothioate
CID 144525750
(4-chloro-3-nitrophenyl)-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 11646803
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
CID 84579916
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(3-methoxyphenoxy)butan-1-one
CID 28571684
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone (CID 11632745) is 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone is COc1cccc(C2(O)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is YCUDSPSEJCELMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-30-23-15-8-14-22(18-23)26(29)16-9-17-27(19-26)25(28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,18,24,29H,9,16-17,19H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone?
1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 401.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 11632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).