1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol

C20H27NO — CID 52943448

IUPAC1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol
SMILESCC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C
InChIInChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3
InChIKeyJYWKRWWPTYARAS-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.86
Rot. Bonds3

About 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol

1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol (PubChem CID 52943448) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol
PubChem CID52943448
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol
SMILESCC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C
InChIInChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3
InChIKeyJYWKRWWPTYARAS-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol?
The IUPAC name of 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol (CID 52943448) is 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol.
What is the SMILES notation for 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol?
The canonical SMILES for 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol is CC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C.
What is the InChIKey of 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol?
The InChIKey is JYWKRWWPTYARAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol?
1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol has a molecular weight of 297.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(2-naphthalen-1-ylethyl)piperidin-4-ol is sourced from PubChem (CID 52943448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).