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

C12H22N4O — CID 106418172

IUPACN-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2noc(C)n2)CC1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3
InChIKeyZMTMYPHAOKSOCR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds5

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

N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 106418172) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
PubChem CID106418172
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2noc(C)n2)CC1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3
InChIKeyZMTMYPHAOKSOCR-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 106418270
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418274
N-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63242491
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 113243071
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
N-ethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 106402203
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421539
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 106391885
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (CID 106418172) is N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2noc(C)n2)CC1.
What is the InChIKey of N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is ZMTMYPHAOKSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-11-4-7-16(8-5-11)9-6-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106418172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).