N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine

C13H24N4O — CID 63848539

IUPACN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCc1noc(CN2CCCCC2CNC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)14-8-12-6-4-5-7-17(12)9-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyRIZBSLAHVATPEG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds5

About N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 63848539) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID63848539
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCc1noc(CN2CCCCC2CNC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)14-8-12-6-4-5-7-17(12)9-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3
InChIKeyRIZBSLAHVATPEG-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine (CID 63848539) is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine is Cc1noc(CN2CCCCC2CNC(C)C)n1.
What is the InChIKey of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is RIZBSLAHVATPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)14-8-12-6-4-5-7-17(12)9-13-15-11(3)16-18-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63848539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).