N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C12H22N4O — CID 107914913

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1nnc(CNCCC2CCN(C)CC2)o1
InChIInChI=1S/C12H22N4O/c1-10-14-15-12(17-10)9-13-6-3-11-4-7-16(2)8-5-11/h11,13H,3-9H2,1-2H3
InChIKeyRQTOEZWLUJRQMQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds5

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 107914913) 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-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID107914913
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCc1nnc(CNCCC2CCN(C)CC2)o1
InChIInChI=1S/C12H22N4O/c1-10-14-15-12(17-10)9-13-6-3-11-4-7-16(2)8-5-11/h11,13H,3-9H2,1-2H3
InChIKeyRQTOEZWLUJRQMQ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 107914373
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115741995
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
2-(1-methylpiperidin-4-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077852
2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 114515132
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 107914913) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is Cc1nnc(CNCCC2CCN(C)CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is RQTOEZWLUJRQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-14-15-12(17-10)9-13-6-3-11-4-7-16(2)8-5-11/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.20, 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-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 107914913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).