[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol

C16H25NO — CID 114054514

IUPAC[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
SMILESCc1ccc(N2CC(C)CC(C)C2C)c(CO)c1
InChIInChI=1S/C16H25NO/c1-11-5-6-16(15(8-11)10-18)17-9-12(2)7-13(3)14(17)4/h5-6,8,12-14,18H,7,9-10H2,1-4H3
InChIKeyISFPCHNYBRNQNX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds2

About [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol

[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol (PubChem CID 114054514) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
PubChem CID114054514
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
SMILESCc1ccc(N2CC(C)CC(C)C2C)c(CO)c1
InChIInChI=1S/C16H25NO/c1-11-5-6-16(15(8-11)10-18)17-9-12(2)7-13(3)14(17)4/h5-6,8,12-14,18H,7,9-10H2,1-4H3
InChIKeyISFPCHNYBRNQNX-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol (CID 114054514) is [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol is Cc1ccc(N2CC(C)CC(C)C2C)c(CO)c1.
What is the InChIKey of [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol?
The InChIKey is ISFPCHNYBRNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-5-6-16(15(8-11)10-18)17-9-12(2)7-13(3)14(17)4/h5-6,8,12-14,18H,7,9-10H2,1-4H3.
What are the key properties of [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol?
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114054514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).