2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol

C15H28N4O2 — CID 56802561

IUPAC2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCCCc1nc(CN(C)CC2CCN(CCO)CC2)no1
InChIInChI=1S/C15H28N4O2/c1-3-4-15-16-14(17-21-15)12-18(2)11-13-5-7-19(8-6-13)9-10-20/h13,20H,3-12H2,1-2H3
InChIKeyCTDXYHSIXLHCLH-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.16
Rot. Bonds8

About 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol

2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol (PubChem CID 56802561) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
PubChem CID56802561
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCCCc1nc(CN(C)CC2CCN(CCO)CC2)no1
InChIInChI=1S/C15H28N4O2/c1-3-4-15-16-14(17-21-15)12-18(2)11-13-5-7-19(8-6-13)9-10-20/h13,20H,3-12H2,1-2H3
InChIKeyCTDXYHSIXLHCLH-UHFFFAOYSA-N
XLogP1.16
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol (CID 56802561) is 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol is CCCc1nc(CN(C)CC2CCN(CCO)CC2)no1.
What is the InChIKey of 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is CTDXYHSIXLHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-4-15-16-14(17-21-15)12-18(2)11-13-5-7-19(8-6-13)9-10-20/h13,20H,3-12H2,1-2H3.
What are the key properties of 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 296.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56802561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).