4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine

C18H27N5O — CID 136572959

IUPAC4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCCn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C18H27N5O/c1-4-23-16(13-15-5-9-19-10-6-15)20-21-17(23)22-11-7-18(2,8-12-22)14-24-3/h5-6,9-10H,4,7-8,11-14H2,1-3H3
InChIKeyNDYKHCNFTXQDJW-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.54
Rot. Bonds6

About 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine

4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 136572959) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID136572959
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCCn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C18H27N5O/c1-4-23-16(13-15-5-9-19-10-6-15)20-21-17(23)22-11-7-18(2,8-12-22)14-24-3/h5-6,9-10H,4,7-8,11-14H2,1-3H3
InChIKeyNDYKHCNFTXQDJW-UHFFFAOYSA-N
XLogP2.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine (CID 136572959) is 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine is CCn1c(Cc2ccncc2)nnc1N1CCC(C)(COC)CC1.
What is the InChIKey of 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is NDYKHCNFTXQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-23-16(13-15-5-9-19-10-6-15)20-21-17(23)22-11-7-18(2,8-12-22)14-24-3/h5-6,9-10H,4,7-8,11-14H2,1-3H3.
What are the key properties of 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine?
4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 329.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 136572959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).