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

C11H20N4O — CID 114961447

IUPAC[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
SMILESCc1nonc1CN1CCC(C)C(CN)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-15(6-10(8)5-12)7-11-9(2)13-16-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyYHAKIELBUVUHOT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.79
Rot. Bonds3

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

[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 114961447) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
PubChem CID114961447
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
SMILESCc1nonc1CN1CCC(C)C(CN)C1
InChIInChI=1S/C11H20N4O/c1-8-3-4-15(6-10(8)5-12)7-11-9(2)13-16-14-11/h8,10H,3-7,12H2,1-2H3
InChIKeyYHAKIELBUVUHOT-UHFFFAOYSA-N
XLogP0.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330
[4-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-3-yl]methanamine
CID 114961207
[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
N-methyl-2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 131936977
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959752

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine (CID 114961447) is [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine is Cc1nonc1CN1CCC(C)C(CN)C1.
What is the InChIKey of [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is YHAKIELBUVUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-3-4-15(6-10(8)5-12)7-11-9(2)13-16-14-11/h8,10H,3-7,12H2,1-2H3.
What are the key properties of [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine?
[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114961447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).