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

C10H18N4O — CID 106421375

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCc1noc(CCN2CCCC(N)C2)n1
InChIInChI=1S/C10H18N4O/c1-8-12-10(15-13-8)4-6-14-5-2-3-9(11)7-14/h9H,2-7,11H2,1H3
InChIKeyIVFJUXIAMXMSGR-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds3

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (PubChem CID 106421375) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
PubChem CID106421375
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
SMILESCc1noc(CCN2CCCC(N)C2)n1
InChIInChI=1S/C10H18N4O/c1-8-12-10(15-13-8)4-6-14-5-2-3-9(11)7-14/h9H,2-7,11H2,1H3
InChIKeyIVFJUXIAMXMSGR-UHFFFAOYSA-N
XLogP0.34
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
CID 95982249
N-[[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418281
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106418244
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylazepan-4-amine
CID 106414436
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
CID 106421032
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine (CID 106421375) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is Cc1noc(CCN2CCCC(N)C2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
The InChIKey is IVFJUXIAMXMSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-12-10(15-13-8)4-6-14-5-2-3-9(11)7-14/h9H,2-7,11H2,1H3.
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 106421375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).