1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

C22H36N2 — CID 1203568

IUPAC1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESCc1c(C)c(CN2CCCCC2)c(C)c(C)c1CN1CCCCC1
InChIInChI=1S/C22H36N2/c1-17-18(2)22(16-24-13-9-6-10-14-24)20(4)19(3)21(17)15-23-11-7-5-8-12-23/h5-16H2,1-4H3
InChIKeyLQBKHIJPOXYJLS-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.89
Rot. Bonds4

About 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 1203568) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID1203568
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESCc1c(C)c(CN2CCCCC2)c(C)c(C)c1CN1CCCCC1
InChIInChI=1S/C22H36N2/c1-17-18(2)22(16-24-13-9-6-10-14-24)20(4)19(3)21(17)15-23-11-7-5-8-12-23/h5-16H2,1-4H3
InChIKeyLQBKHIJPOXYJLS-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (CID 1203568) is 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is Cc1c(C)c(CN2CCCCC2)c(C)c(C)c1CN1CCCCC1.
What is the InChIKey of 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is LQBKHIJPOXYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-17-18(2)22(16-24-13-9-6-10-14-24)20(4)19(3)21(17)15-23-11-7-5-8-12-23/h5-16H2,1-4H3.
What are the key properties of 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 328.54 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3,5,6-tetramethyl-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 1203568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).