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

C17H25NO2 — CID 115874566

IUPAC(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H25NO2/c1-16(2,3)14-8-6-13(7-9-14)15(19)18-11-5-10-17(4,20)12-18/h6-9,20H,5,10-12H2,1-4H3
InChIKeyGSGRNGFPVHUJAR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds1

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

(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115874566) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115874566
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H25NO2/c1-16(2,3)14-8-6-13(7-9-14)15(19)18-11-5-10-17(4,20)12-18/h6-9,20H,5,10-12H2,1-4H3
InChIKeyGSGRNGFPVHUJAR-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)-(3-hydroxy-3-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

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
CID 10664700
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 115874457
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115874566) is (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is GSGRNGFPVHUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,3)14-8-6-13(7-9-14)15(19)18-11-5-10-17(4,20)12-18/h6-9,20H,5,10-12H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-tert-butylphenyl)-(3-hydroxy-3-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)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115874566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).