4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C17H29N9O — CID 70786272

IUPAC4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3
InChIKeyAAUPGSXJLRPSJC-UHFFFAOYSA-N
MW375.48 g/mol
LogP-0.10
Rot. Bonds7

About 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70786272) has the molecular formula C17H29N9O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70786272
Molecular FormulaC17H29N9O
Molecular Weight375.48 g/mol
Exact Mass375.25
IUPAC Name4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1
InChIInChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3
InChIKeyAAUPGSXJLRPSJC-UHFFFAOYSA-N
XLogP-0.10
TPSA90.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70786272) is 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCCN(CCCn2cnnn2)C1.
What is the InChIKey of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is AAUPGSXJLRPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N9O/c1-23-16(13-25-8-10-27-11-9-25)19-20-17(23)15-4-2-5-24(12-15)6-3-7-26-14-18-21-22-26/h14-15H,2-13H2,1H3.
What are the key properties of 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 375.48 g/mol, XLogP of -0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70786272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).