2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C24H31NO3 — CID 31059122

IUPAC2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-24(2,3)20-11-7-8-12-21(20)28-17-22(26)25-15-13-19(14-16-25)23(27)18-9-5-4-6-10-18/h4-12,19,23,27H,13-17H2,1-3H3/t23-/m1/s1
InChIKeyUFTVGJDFNGGZEY-HSZRJFAPSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 31059122) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID31059122
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-24(2,3)20-11-7-8-12-21(20)28-17-22(26)25-15-13-19(14-16-25)23(27)18-9-5-4-6-10-18/h4-12,19,23,27H,13-17H2,1-3H3/t23-/m1/s1
InChIKeyUFTVGJDFNGGZEY-HSZRJFAPSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 92922616
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 46511032
2-(2,4-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 134023893
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 111110060
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 31059122) is 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is CC(C)(C)c1ccccc1OCC(=O)N1CCC([C@H](O)c2ccccc2)CC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UFTVGJDFNGGZEY-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31NO3/c1-24(2,3)20-11-7-8-12-21(20)28-17-22(26)25-15-13-19(14-16-25)23(27)18-9-5-4-6-10-18/h4-12,19,23,27H,13-17H2,1-3H3/t23-/m1/s1.
What are the key properties of 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 381.52 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 2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 31059122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).