N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride

C13H26Cl2N4O — CID 154889034

IUPACN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCC(C)Cc1nc(CN(C)C2CCCNC2)no1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)7-13-15-12(16-18-13)9-17(3)11-5-4-6-14-8-11;;/h10-11,14H,4-9H2,1-3H3;2*1H
InChIKeyNHMLVRSJPYSKSP-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride

N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride (PubChem CID 154889034) has the molecular formula C13H26Cl2N4O and a molecular weight of 325.28 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
PubChem CID154889034
Molecular FormulaC13H26Cl2N4O
Molecular Weight325.28 g/mol
Exact Mass324.15
IUPAC NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
SMILESCC(C)Cc1nc(CN(C)C2CCCNC2)no1.Cl.Cl
InChIInChI=1S/C13H24N4O.2ClH/c1-10(2)7-13-15-12(16-18-13)9-17(3)11-5-4-6-14-8-11;;/h10-11,14H,4-9H2,1-3H3;2*1H
InChIKeyNHMLVRSJPYSKSP-UHFFFAOYSA-N
XLogP2.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride with MolForge

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77095831
N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 63636269
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154884865
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-methyl-N-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600083

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride?
The IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride (CID 154889034) is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride?
The canonical SMILES for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride is CC(C)Cc1nc(CN(C)C2CCCNC2)no1.Cl.Cl.
What is the InChIKey of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride?
The InChIKey is NHMLVRSJPYSKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.2ClH/c1-10(2)7-13-15-12(16-18-13)9-17(3)11-5-4-6-14-8-11;;/h10-11,14H,4-9H2,1-3H3;2*1H.
What are the key properties of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride?
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 154889034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).