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

C12H23ClN4O — CID 119912855

IUPACN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)c1nc(CN(C)C2CCNCC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16(3)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyNGXRIGJPCYUXMH-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.80
Rot. Bonds4

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

N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119912855) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119912855
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC(C)c1nc(CN(C)C2CCNCC2)no1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16(3)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyNGXRIGJPCYUXMH-UHFFFAOYSA-N
XLogP1.80
TPSA54.19 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
2-[piperidin-4-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
CID 61497293
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979421
5-[[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904309
N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 127923318
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 43607122
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512179
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride (CID 119912855) is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride is CC(C)c1nc(CN(C)C2CCNCC2)no1.Cl.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is NGXRIGJPCYUXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-9(2)12-14-11(15-17-12)8-16(3)10-4-6-13-7-5-10;/h9-10,13H,4-8H2,1-3H3;1H.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride?
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119912855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).