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

C18H27NO — CID 114596226

IUPAC2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(C)C(C)N(C2CCc3ccccc3C2O)C1
InChIInChI=1S/C18H27NO/c1-12-10-13(2)14(3)19(11-12)17-9-8-15-6-4-5-7-16(15)18(17)20/h4-7,12-14,17-18,20H,8-11H2,1-3H3
InChIKeyIDRCMLWKMTVAJS-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.40
Rot. Bonds1

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

2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114596226) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114596226
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(C)C(C)N(C2CCc3ccccc3C2O)C1
InChIInChI=1S/C18H27NO/c1-12-10-13(2)14(3)19(11-12)17-9-8-15-6-4-5-7-16(15)18(17)20/h4-7,12-14,17-18,20H,8-11H2,1-3H3
InChIKeyIDRCMLWKMTVAJS-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114596226) is 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC(C)C(C)N(C2CCc3ccccc3C2O)C1.
What is the InChIKey of 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is IDRCMLWKMTVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-10-13(2)14(3)19(11-12)17-9-8-15-6-4-5-7-16(15)18(17)20/h4-7,12-14,17-18,20H,8-11H2,1-3H3.
What are the key properties of 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114596226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).