N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C14H26N4O — CID 106636894

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1nc(C(C)(C)C)no1)CC1CCCNC1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-16-12(19-17-13)10-18(4)9-11-6-5-7-15-8-11/h11,15H,5-10H2,1-4H3
InChIKeyWLNXGFVITYOKKG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.80
Rot. Bonds4

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106636894) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106636894
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1nc(C(C)(C)C)no1)CC1CCCNC1
InChIInChI=1S/C14H26N4O/c1-14(2,3)13-16-12(19-17-13)10-18(4)9-11-6-5-7-15-8-11/h11,15H,5-10H2,1-4H3
InChIKeyWLNXGFVITYOKKG-UHFFFAOYSA-N
XLogP1.80
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705553
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119463876
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639764
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617692
2-[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63276008
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 154906930
2,2-difluoro-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 84674393
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106636894) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1nc(C(C)(C)C)no1)CC1CCCNC1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is WLNXGFVITYOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)13-16-12(19-17-13)10-18(4)9-11-6-5-7-15-8-11/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106636894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).