1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine

C17H27N — CID 2803011

IUPAC1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine
SMILESCc1c(C)c(C)c(CN2CCCCC2)c(C)c1C
InChIInChI=1S/C17H27N/c1-12-13(2)15(4)17(16(5)14(12)3)11-18-9-7-6-8-10-18/h6-11H2,1-5H3
InChIKeyYYGPUOMUDYTKQG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.21
Rot. Bonds2

About 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine

1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine (PubChem CID 2803011) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine
PubChem CID2803011
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine
SMILESCc1c(C)c(C)c(CN2CCCCC2)c(C)c1C
InChIInChI=1S/C17H27N/c1-12-13(2)15(4)17(16(5)14(12)3)11-18-9-7-6-8-10-18/h6-11H2,1-5H3
InChIKeyYYGPUOMUDYTKQG-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine (CID 2803011) is 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine is Cc1c(C)c(C)c(CN2CCCCC2)c(C)c1C.
What is the InChIKey of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine?
The InChIKey is YYGPUOMUDYTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-13(2)15(4)17(16(5)14(12)3)11-18-9-7-6-8-10-18/h6-11H2,1-5H3.
What are the key properties of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine?
1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]piperidine is sourced from PubChem (CID 2803011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).