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

C12H23ClN4O — CID 119908645

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1nc(CN2CCC(N)CC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-12(2,3)11-14-10(15-17-11)8-16-6-4-9(13)5-7-16;/h9H,4-8,13H2,1-3H3;1H
InChIKeyDRNFPSNZSOHFBN-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.71
Rot. Bonds2

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

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119908645) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119908645
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1nc(CN2CCC(N)CC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-12(2,3)11-14-10(15-17-11)8-16-6-4-9(13)5-7-16;/h9H,4-8,13H2,1-3H3;1H
InChIKeyDRNFPSNZSOHFBN-UHFFFAOYSA-N
XLogP1.71
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-3-[(4-pyrrol-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 71935486
4-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]phenol
CID 60506257
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102062
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920036
1-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914755
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
CID 120663891
5-tert-butyl-3-[(3,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 63874621
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62690798
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole
CID 47034350
N-[[(3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94032700
[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80505901

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride (CID 119908645) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride is CC(C)(C)c1nc(CN2CCC(N)CC2)no1.Cl.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is DRNFPSNZSOHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-12(2,3)11-14-10(15-17-11)8-16-6-4-9(13)5-7-16;/h9H,4-8,13H2,1-3H3;1H.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.71, 2 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]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119908645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).