(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone

C22H27NO2 — CID 10664700

IUPAC(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC(O)(c3ccccc3)C2)cc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)18-12-10-17(11-13-18)20(24)23-15-7-14-22(25,16-23)19-8-5-4-6-9-19/h4-6,8-13,25H,7,14-16H2,1-3H3
InChIKeyBOYPTDJMFZSMFA-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.11
Rot. Bonds2

About (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone

(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone (PubChem CID 10664700) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
PubChem CID10664700
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC(O)(c3ccccc3)C2)cc1
InChIInChI=1S/C22H27NO2/c1-21(2,3)18-12-10-17(11-13-18)20(24)23-15-7-14-22(25,16-23)19-8-5-4-6-9-19/h4-6,8-13,25H,7,14-16H2,1-3H3
InChIKeyBOYPTDJMFZSMFA-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
(4-fluorophenyl)-[3-hydroxy-3-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 11609363
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
CID 135091372
1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545580
2-[(3R)-1-(4-tert-butylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124982974
(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone (CID 10664700) is (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCCC(O)(c3ccccc3)C2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone?
The InChIKey is BOYPTDJMFZSMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-21(2,3)18-12-10-17(11-13-18)20(24)23-15-7-14-22(25,16-23)19-8-5-4-6-9-19/h4-6,8-13,25H,7,14-16H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone?
(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 10664700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).