1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol

C19H31NO — CID 63470560

IUPAC1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
SMILESCC1CC(C)CN(CC(O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-20(11-14)13-18(21)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18,21H,10-13H2,1-5H3
InChIKeyPXGNEDMHHBXFNW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol

1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol (PubChem CID 63470560) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
PubChem CID63470560
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
SMILESCC1CC(C)CN(CC(O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-10-15(2)12-20(11-14)13-18(21)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18,21H,10-13H2,1-5H3
InChIKeyPXGNEDMHHBXFNW-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 133108528
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
(2S)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 51422962
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol (CID 63470560) is 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol is CC1CC(C)CN(CC(O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol?
The InChIKey is PXGNEDMHHBXFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-10-15(2)12-20(11-14)13-18(21)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18,21H,10-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol?
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 63470560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).