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

C12H22N4O — CID 114015348

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1nnc(CNCC(C)N2CCCCC2)o1
InChIInChI=1S/C12H22N4O/c1-10(16-6-4-3-5-7-16)8-13-9-12-15-14-11(2)17-12/h10,13H,3-9H2,1-2H3
InChIKeyQHIKNPYULORYQX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.34
Rot. Bonds5

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 114015348) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID114015348
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1nnc(CNCC(C)N2CCCCC2)o1
InChIInChI=1S/C12H22N4O/c1-10(16-6-4-3-5-7-16)8-13-9-12-15-14-11(2)17-12/h10,13H,3-9H2,1-2H3
InChIKeyQHIKNPYULORYQX-UHFFFAOYSA-N
XLogP1.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 114015348) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine is Cc1nnc(CNCC(C)N2CCCCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is QHIKNPYULORYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(16-6-4-3-5-7-16)8-13-9-12-15-14-11(2)17-12/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114015348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).