(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C17H25NO2 — CID 80706809

IUPAC(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4,20)10-12-18/h5-8,20H,9-12H2,1-4H3
InChIKeySJHNWBRQZAFFIN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds1

About (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80706809) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80706809
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4,20)10-12-18/h5-8,20H,9-12H2,1-4H3
InChIKeySJHNWBRQZAFFIN-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 81109311
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80706809) is (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is SJHNWBRQZAFFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4,20)10-12-18/h5-8,20H,9-12H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).