2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol

C16H28N4O2 — CID 95344493

IUPAC2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
SMILESC[C@@H](c1nc(C2CC2)no1)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C16H28N4O2/c1-12(16-17-15(18-22-16)14-3-4-14)19(2)11-13-5-7-20(8-6-13)9-10-21/h12-14,21H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyLWUBVCNHRDXEFD-LBPRGKRZSA-N
MW308.43 g/mol
LogP1.64
Rot. Bonds7

About 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 95344493) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID95344493
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
SMILESC[C@@H](c1nc(C2CC2)no1)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C16H28N4O2/c1-12(16-17-15(18-22-16)14-3-4-14)19(2)11-13-5-7-20(8-6-13)9-10-21/h12-14,21H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyLWUBVCNHRDXEFD-LBPRGKRZSA-N
XLogP1.64
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(2R)-1-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95341243
2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
CID 97084016
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 45171143
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 97312274
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 60509136
(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95341291
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
2-[4-[[(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]ethanol
CID 56913494
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol (CID 95344493) is 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol is C[C@@H](c1nc(C2CC2)no1)N(C)CC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is LWUBVCNHRDXEFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(16-17-15(18-22-16)14-3-4-14)19(2)11-13-5-7-20(8-6-13)9-10-21/h12-14,21H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 308.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95344493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).