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

C12H21ClN4O — CID 119909690

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C12H20N4O.ClH/c13-7-9-3-5-16(6-4-9)8-11-14-12(17-15-11)10-1-2-10;/h9-10H,1-8,13H2;1H
InChIKeyGOGLNFMRTNURSH-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.54
Rot. Bonds4

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

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909690) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909690
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C12H20N4O.ClH/c13-7-9-3-5-16(6-4-9)8-11-14-12(17-15-11)10-1-2-10;/h9-10H,1-8,13H2;1H
InChIKeyGOGLNFMRTNURSH-UHFFFAOYSA-N
XLogP1.54
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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

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Related Compounds

2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909578
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
3-[[4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 126827706
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992920
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441926

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (CID 119909690) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is GOGLNFMRTNURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c13-7-9-3-5-16(6-4-9)8-11-14-12(17-15-11)10-1-2-10;/h9-10H,1-8,13H2;1H.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).