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

C13H22N4O — CID 103441926

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2noc(C3CC3)n2)C(CN)C1
InChIInChI=1S/C13H22N4O/c1-9-4-5-17(11(6-9)7-14)8-12-15-13(18-16-12)10-2-3-10/h9-11H,2-8,14H2,1H3
InChIKeyDTHUIECSHGJRPS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.51
Rot. Bonds4

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

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441926) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441926
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2noc(C3CC3)n2)C(CN)C1
InChIInChI=1S/C13H22N4O/c1-9-4-5-17(11(6-9)7-14)8-12-15-13(18-16-12)10-2-3-10/h9-11H,2-8,14H2,1H3
InChIKeyDTHUIECSHGJRPS-UHFFFAOYSA-N
XLogP1.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 129393612
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992920
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 63855124
(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
CID 70777105
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 61495168
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
[(2S,4R)-4-methyl-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 154807738
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine (CID 103441926) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(Cc2noc(C3CC3)n2)C(CN)C1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is DTHUIECSHGJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-4-5-17(11(6-9)7-14)8-12-15-13(18-16-12)10-2-3-10/h9-11H,2-8,14H2,1H3.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.51, 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]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).