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

C12H21N3O — CID 79407402

IUPAC2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCc1cc(CN2CCC(N)C(C)C2C)no1
InChIInChI=1S/C12H21N3O/c1-8-6-11(14-16-8)7-15-5-4-12(13)9(2)10(15)3/h6,9-10,12H,4-5,7,13H2,1-3H3
InChIKeyJBEGZGCMPWKMAK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds2

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

2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (PubChem CID 79407402) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
PubChem CID79407402
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCc1cc(CN2CCC(N)C(C)C2C)no1
InChIInChI=1S/C12H21N3O/c1-8-6-11(14-16-8)7-15-5-4-12(13)9(2)10(15)3/h6,9-10,12H,4-5,7,13H2,1-3H3
InChIKeyJBEGZGCMPWKMAK-UHFFFAOYSA-N
XLogP1.54
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (CID 79407402) is 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is Cc1cc(CN2CCC(N)C(C)C2C)no1.
What is the InChIKey of 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is JBEGZGCMPWKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-6-11(14-16-8)7-15-5-4-12(13)9(2)10(15)3/h6,9-10,12H,4-5,7,13H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 79407402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).