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

C12H21ClN4O — CID 119925264

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2nc(C3CC3)no2)CCC1N.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-6-16(5-4-10(8)13)7-11-14-12(15-17-11)9-2-3-9;/h8-10H,2-7,13H2,1H3;1H
InChIKeyMPJCFMAONGCONY-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.54
Rot. Bonds3

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

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119925264) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119925264
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2nc(C3CC3)no2)CCC1N.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-8-6-16(5-4-10(8)13)7-11-14-12(15-17-11)9-2-3-9;/h8-10H,2-7,13H2,1H3;1H
InChIKeyMPJCFMAONGCONY-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 79867470
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553341
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119924881
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79874615
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride (CID 119925264) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride is CC1CN(Cc2nc(C3CC3)no2)CCC1N.Cl.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is MPJCFMAONGCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-8-6-16(5-4-10(8)13)7-11-14-12(15-17-11)9-2-3-9;/h8-10H,2-7,13H2,1H3;1H.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119925264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).