3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine

C22H36N2O — CID 158930494

IUPAC3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine
SMILESCOC1CCC(N2CCC(Cc3cncc(C(C)(C)C)c3)CC2)CC1
InChIInChI=1S/C22H36N2O/c1-22(2,3)19-14-18(15-23-16-19)13-17-9-11-24(12-10-17)20-5-7-21(25-4)8-6-20/h14-17,20-21H,5-13H2,1-4H3
InChIKeyPLXZCCPREUIWAR-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.59
Rot. Bonds4

About 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine

3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine (PubChem CID 158930494) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine
PubChem CID158930494
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine
SMILESCOC1CCC(N2CCC(Cc3cncc(C(C)(C)C)c3)CC2)CC1
InChIInChI=1S/C22H36N2O/c1-22(2,3)19-14-18(15-23-16-19)13-17-9-11-24(12-10-17)20-5-7-21(25-4)8-6-20/h14-17,20-21H,5-13H2,1-4H3
InChIKeyPLXZCCPREUIWAR-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine?
The IUPAC name of 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine (CID 158930494) is 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine is COC1CCC(N2CCC(Cc3cncc(C(C)(C)C)c3)CC2)CC1.
What is the InChIKey of 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine?
The InChIKey is PLXZCCPREUIWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c1-22(2,3)19-14-18(15-23-16-19)13-17-9-11-24(12-10-17)20-5-7-21(25-4)8-6-20/h14-17,20-21H,5-13H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine?
3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine has a molecular weight of 344.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[1-(4-methoxycyclohexyl)piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 158930494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).