1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

C19H31NO — CID 114596237

IUPAC1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(C)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C19H31NO/c1-6-17-7-9-18(10-8-17)19(21)16(5)20-12-13(2)11-14(3)15(20)4/h7-10,13-16,19,21H,6,11-12H2,1-5H3
InChIKeyZQYDDZUZUVKYRF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (PubChem CID 114596237) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
PubChem CID114596237
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(C)N2CC(C)CC(C)C2C)cc1
InChIInChI=1S/C19H31NO/c1-6-17-7-9-18(10-8-17)19(21)16(5)20-12-13(2)11-14(3)15(20)4/h7-10,13-16,19,21H,6,11-12H2,1-5H3
InChIKeyZQYDDZUZUVKYRF-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (CID 114596237) is 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is CCc1ccc(C(O)C(C)N2CC(C)CC(C)C2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is ZQYDDZUZUVKYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-17-7-9-18(10-8-17)19(21)16(5)20-12-13(2)11-14(3)15(20)4/h7-10,13-16,19,21H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 114596237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).