4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole

C10H16N2O — CID 130627037

IUPAC4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCC1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C10H16N2O/c1-9-2-4-12(5-3-9)7-10-6-11-13-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPCXGLSRXICFZHB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.91
Rot. Bonds2

About 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole

4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole (PubChem CID 130627037) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
PubChem CID130627037
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
SMILESCC1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C10H16N2O/c1-9-2-4-12(5-3-9)7-10-6-11-13-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPCXGLSRXICFZHB-UHFFFAOYSA-N
XLogP1.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63032730
2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid
CID 62312277
methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982340
3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942298
2-methyl-2-[1-(1,2-oxazol-4-ylmethyl)piperidin-3-yl]propanoic acid
CID 83197303
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole (CID 130627037) is 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole is CC1CCN(Cc2cnoc2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
The InChIKey is PCXGLSRXICFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-2-4-12(5-3-9)7-10-6-11-13-8-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole?
4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 130627037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).