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

C12H21N3O — CID 114961443

IUPAC[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)C(CN)C2)on1
InChIInChI=1S/C12H21N3O/c1-9-3-4-15(7-11(9)6-13)8-12-5-10(2)14-16-12/h5,9,11H,3-4,6-8,13H2,1-2H3
InChIKeyMYGZDYOEZWMMIO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds3

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

[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine (PubChem CID 114961443) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
PubChem CID114961443
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(C)C(CN)C2)on1
InChIInChI=1S/C12H21N3O/c1-9-3-4-15(7-11(9)6-13)8-12-5-10(2)14-16-12/h5,9,11H,3-4,6-8,13H2,1-2H3
InChIKeyMYGZDYOEZWMMIO-UHFFFAOYSA-N
XLogP1.40
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
[4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 114961447
3-methyl-5-[[(1S,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,2-oxazole
CID 97004937
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120967190
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methyl-1,2-oxazole;hydrochloride
CID 120966375
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 63594677
5-[(3-fluoropiperidin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 171704888
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
2-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966849
3-methyl-5-[[3-(3-methylbutoxy)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 71859846
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine (CID 114961443) is [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine is Cc1cc(CN2CCC(C)C(CN)C2)on1.
What is the InChIKey of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine?
The InChIKey is MYGZDYOEZWMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-3-4-15(7-11(9)6-13)8-12-5-10(2)14-16-12/h5,9,11H,3-4,6-8,13H2,1-2H3.
What are the key properties of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine?
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114961443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).