4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol

C17H27NO — CID 3579174

IUPAC4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCCc1ccc(CC2(O)CC(C)N(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-5-15-6-8-16(9-7-15)11-17(19)10-14(3)18(4)12-13(17)2/h6-9,13-14,19H,5,10-12H2,1-4H3
InChIKeyCZHRRKKPZIBEFS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.88
Rot. Bonds3

About 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol

4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 3579174) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID3579174
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCCc1ccc(CC2(O)CC(C)N(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-5-15-6-8-16(9-7-15)11-17(19)10-14(3)18(4)12-13(17)2/h6-9,13-14,19H,5,10-12H2,1-4H3
InChIKeyCZHRRKKPZIBEFS-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol (CID 3579174) is 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol is CCc1ccc(CC2(O)CC(C)N(C)CC2C)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is CZHRRKKPZIBEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-15-6-8-16(9-7-15)11-17(19)10-14(3)18(4)12-13(17)2/h6-9,13-14,19H,5,10-12H2,1-4H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol?
4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 3579174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).