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

C12H22N4O — CID 106402216

IUPACN,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ncno2)C(C)C1C
InChIInChI=1S/C12H22N4O/c1-9-10(2)16(6-4-11(9)13-3)7-5-12-14-8-15-17-12/h8-11,13H,4-7H2,1-3H3
InChIKeyQKBGHEOFKCFZQQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds4

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

N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 106402216) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
PubChem CID106402216
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCc2ncno2)C(C)C1C
InChIInChI=1S/C12H22N4O/c1-9-10(2)16(6-4-11(9)13-3)7-5-12-14-8-15-17-12/h8-11,13H,4-7H2,1-3H3
InChIKeyQKBGHEOFKCFZQQ-UHFFFAOYSA-N
XLogP0.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106408102
N,2,3-trimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79406895
N,2,3-trimethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 79398307
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735
5-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,2,4-oxadiazole
CID 106408742
N,2,3-trimethyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 79407915
1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106402233
N,2,3-trimethyl-1-(5-methylhexyl)piperidin-4-amine
CID 113287541
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 106402203
1-[(6-methoxy-3-pyridinyl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 79406591
N,2,3-trimethyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 114173850

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine (CID 106402216) is N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is CNC1CCN(CCc2ncno2)C(C)C1C.
What is the InChIKey of N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is QKBGHEOFKCFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-10(2)16(6-4-11(9)13-3)7-5-12-14-8-15-17-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine?
N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106402216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).