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

C12H22N4O — CID 102977355

IUPAC(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCC(C)(C)c1noc(CN2CCC[C@@H](N)C2)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-14-10(17-15-11)8-16-6-4-5-9(13)7-16/h9H,4-8,13H2,1-3H3/t9-/m1/s1
InChIKeyZBWAFVWDVWMHQS-SECBINFHSA-N
MW238.33 g/mol
LogP1.29
Rot. Bonds2

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

(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 102977355) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
PubChem CID102977355
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
SMILESCC(C)(C)c1noc(CN2CCC[C@@H](N)C2)n1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-14-10(17-15-11)8-16-6-4-5-9(13)7-16/h9H,4-8,13H2,1-3H3/t9-/m1/s1
InChIKeyZBWAFVWDVWMHQS-SECBINFHSA-N
XLogP1.29
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
2-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988175
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
3-Ethyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 45833742
5-[(4-Ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 47020900
3-Cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022087
3-Ethyl-5-[1-(4-ethylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 47022418

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine (CID 102977355) is (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is CC(C)(C)c1noc(CN2CCC[C@@H](N)C2)n1.
What is the InChIKey of (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is ZBWAFVWDVWMHQS-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)11-14-10(17-15-11)8-16-6-4-5-9(13)7-16/h9H,4-8,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine?
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 102977355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).