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

C15H29ClN4O — CID 119928186

IUPACN-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2nc(CC(C)C)no2)CC1.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-4-16-10-13-5-7-19(8-6-13)11-15-17-14(18-20-15)9-12(2)3;/h12-13,16H,4-11H2,1-3H3;1H
InChIKeyPUBMMYKXRWOQHM-UHFFFAOYSA-N
MW316.88 g/mol
LogP2.51
Rot. Bonds7

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

N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119928186) has the molecular formula C15H29ClN4O and a molecular weight of 316.88 g/mol. Its IUPAC name is N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119928186
Molecular FormulaC15H29ClN4O
Molecular Weight316.88 g/mol
Exact Mass316.20
IUPAC NameN-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2nc(CC(C)C)no2)CC1.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-4-16-10-13-5-7-19(8-6-13)11-15-17-14(18-20-15)9-12(2)3;/h12-13,16H,4-11H2,1-3H3;1H
InChIKeyPUBMMYKXRWOQHM-UHFFFAOYSA-N
XLogP2.51
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride with MolForge

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Related Compounds

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927948
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408
5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 51097256
3-(2-methylpropyl)-5-[[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313120

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119928186) is N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2nc(CC(C)C)no2)CC1.Cl.
What is the InChIKey of N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is PUBMMYKXRWOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.ClH/c1-4-16-10-13-5-7-19(8-6-13)11-15-17-14(18-20-15)9-12(2)3;/h12-13,16H,4-11H2,1-3H3;1H.
What are the key properties of N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 316.88 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119928186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).