1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

C19H31NO — CID 82105508

IUPAC1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-15-9-12-20(13-10-15)14-11-18(21)16-5-7-17(8-6-16)19(2,3)4/h5-8,15,18,21H,9-14H2,1-4H3
InChIKeyANTUGGPVZXCSKU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82105508) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID82105508
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H31NO/c1-15-9-12-20(13-10-15)14-11-18(21)16-5-7-17(8-6-16)19(2,3)4/h5-8,15,18,21H,9-14H2,1-4H3
InChIKeyANTUGGPVZXCSKU-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
5-(4-methylpiperidin-1-yl)-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 142203549
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 133108528
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
(1R)-4-(4-benzhydrylpiperazin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 76965746
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 82105508) is 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is CC1CCN(CCC(O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is ANTUGGPVZXCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-9-12-20(13-10-15)14-11-18(21)16-5-7-17(8-6-16)19(2,3)4/h5-8,15,18,21H,9-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82105508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).