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

C12H22N4O — CID 106402270

IUPACN-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2ncon2)C(C)C1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-6-16(10(2)8-11)7-5-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeyIJNNRUUOPSJMFO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds5

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

N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 106402270) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
PubChem CID106402270
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCc2ncon2)C(C)C1
InChIInChI=1S/C12H22N4O/c1-3-13-11-4-6-16(10(2)8-11)7-5-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3
InChIKeyIJNNRUUOPSJMFO-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-Oxadiazol-3-yl)piperidine hydrochloride
CID 47002154
3-(1,2,4-Oxadiazol-3-yl)piperidine hydrochloride
CID 75531100
3-(1,2,4-Oxadiazol-3-yl)piperidine
CID 62388811
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106393580
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106396402
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 106396640
3-(Piperidin-2-yl)-1,2,4-oxadiazole
CID 47002143
3-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 51921938
1-(1,2,4-Oxadiazol-3-ylmethyl)piperidin-3-amine
CID 61296338
Cyclopropyl-[1-(3-propyl-[1,2,4]oxadiazol-5-yl)-piperidin-4-yl]-amine
CID 68289599
N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
CID 69671020
N-ethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-amine
CID 69676069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine (CID 106402270) is N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is CCNC1CCN(CCc2ncon2)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is IJNNRUUOPSJMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-11-4-6-16(10(2)8-11)7-5-12-14-9-17-15-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine?
N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 106402270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).