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

C12H23ClN4O — CID 154907905

IUPACN-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(c2noc(C(C)C)n2)CC1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)11-14-12(15-17-11)16-6-4-10(5-7-16)8-13-3;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyFQOXONOELBXQHR-UHFFFAOYSA-N
MW274.80 g/mol
LogP2.05
Rot. Bonds4

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

N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 154907905) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID154907905
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(c2noc(C(C)C)n2)CC1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)11-14-12(15-17-11)16-6-4-10(5-7-16)8-13-3;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyFQOXONOELBXQHR-UHFFFAOYSA-N
XLogP2.05
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride (CID 154907905) is N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(c2noc(C(C)C)n2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is FQOXONOELBXQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-9(2)11-14-12(15-17-11)16-6-4-10(5-7-16)8-13-3;/h9-10,13H,4-8H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 154907905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).