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

C13H25ClN4O — CID 119927948

IUPACN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2noc(CC)n2)CC1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-3-13-15-12(16-18-13)10-17-7-5-11(6-8-17)9-14-4-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeyMIVOBXGPGNDKBC-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.88
Rot. Bonds6

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

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119927948) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119927948
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2noc(CC)n2)CC1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-3-13-15-12(16-18-13)10-17-7-5-11(6-8-17)9-14-4-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeyMIVOBXGPGNDKBC-UHFFFAOYSA-N
XLogP1.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62655744
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
CID 95312192
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78969841

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119927948) is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2noc(CC)n2)CC1.Cl.
What is the InChIKey of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is MIVOBXGPGNDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-3-13-15-12(16-18-13)10-17-7-5-11(6-8-17)9-14-4-2;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119927948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).