N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

C17H25ClN4O — CID 120842058

IUPACN,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCN(C)Cc1ccc(-c2noc(C3(C)CCCCN3)n2)cc1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-17(10-4-5-11-18-17)16-19-15(20-22-16)14-8-6-13(7-9-14)12-21(2)3;/h6-9,18H,4-5,10-12H2,1-3H3;1H
InChIKeyPQQSPJSTRHXWNK-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.21
Rot. Bonds4

About N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120842058) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120842058
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCN(C)Cc1ccc(-c2noc(C3(C)CCCCN3)n2)cc1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-17(10-4-5-11-18-17)16-19-15(20-22-16)14-8-6-13(7-9-14)12-21(2)3;/h6-9,18H,4-5,10-12H2,1-3H3;1H
InChIKeyPQQSPJSTRHXWNK-UHFFFAOYSA-N
XLogP3.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 79078362
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-(1H-imidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137101480
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120840882
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
1-[4-[5-[(3,3-dimethylazetidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 154766161
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 104880852
3-(1-methylimidazol-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 113430976
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
N,N-dimethyl-1-[4-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120842104

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120842058) is N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is CN(C)Cc1ccc(-c2noc(C3(C)CCCCN3)n2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is PQQSPJSTRHXWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-17(10-4-5-11-18-17)16-19-15(20-22-16)14-8-6-13(7-9-14)12-21(2)3;/h6-9,18H,4-5,10-12H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).