[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride

C12H23ClN4O — CID 119909578

IUPAC[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCC(C)c1nc(CN2CCC(CN)CC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16-5-3-10(7-13)4-6-16;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyCZCSRJRKYHNWGX-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.79
Rot. Bonds4

About [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride

[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909578) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909578
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCC(C)c1nc(CN2CCC(CN)CC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16-5-3-10(7-13)4-6-16;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyCZCSRJRKYHNWGX-UHFFFAOYSA-N
XLogP1.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79605835
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55030802
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
3-[(3-piperazin-1-ylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 66197727
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
N-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 86829417
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
N,N-dimethyl-1-[(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 95345198

Frequently Asked Questions

What is the IUPAC name of [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (CID 119909578) is [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is CC(C)c1nc(CN2CCC(CN)CC2)no1.Cl.
What is the InChIKey of [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CZCSRJRKYHNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16-5-3-10(7-13)4-6-16;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).