1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C13H25ClN4O — CID 119920036

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-13(2,3)12-15-11(16-18-12)9-17-7-5-6-10(8-17)14-4;/h10,14H,5-9H2,1-4H3;1H
InChIKeyUCJHGEQAEWFSCP-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.97
Rot. Bonds3

About 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 119920036) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID119920036
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-13(2,3)12-15-11(16-18-12)9-17-7-5-6-10(8-17)14-4;/h10,14H,5-9H2,1-4H3;1H
InChIKeyUCJHGEQAEWFSCP-UHFFFAOYSA-N
XLogP1.97
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914755
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-amine
CID 95730315
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62690798
N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94032700
5-tert-butyl-3-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60977909
5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95973173
5-tert-butyl-3-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95353474
N-(2-aminoethyl)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917197
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908645
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 119920036) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2noc(C(C)(C)C)n2)C1.Cl.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is UCJHGEQAEWFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-13(2,3)12-15-11(16-18-12)9-17-7-5-6-10(8-17)14-4;/h10,14H,5-9H2,1-4H3;1H.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119920036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).