[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone

C22H27NO2 — CID 138473835

IUPAC[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(C)(C)O
InChIInChI=1S/C22H27NO2/c1-16-14-18(11-12-20(16)22(2,3)25)21(24)23-13-7-10-19(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,25H,7,10,13,15H2,1-3H3
InChIKeyLEBCTPYBTCEPSD-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.24
Rot. Bonds3

About [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone

[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone (PubChem CID 138473835) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone
PubChem CID138473835
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(C)(C)O
InChIInChI=1S/C22H27NO2/c1-16-14-18(11-12-20(16)22(2,3)25)21(24)23-13-7-10-19(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,25H,7,10,13,15H2,1-3H3
InChIKeyLEBCTPYBTCEPSD-UHFFFAOYSA-N
XLogP4.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473776
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
4-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72841928
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
4-[(3R)-1-(5-acetylthiophene-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97197017
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone (CID 138473835) is [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(c3ccccc3)C2)ccc1C(C)(C)O.
What is the InChIKey of [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is LEBCTPYBTCEPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-14-18(11-12-20(16)22(2,3)25)21(24)23-13-7-10-19(15-23)17-8-5-4-6-9-17/h4-6,8-9,11-12,14,19,25H,7,10,13,15H2,1-3H3.
What are the key properties of [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone?
[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropan-2-yl)-3-methylphenyl]-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 138473835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).