4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole

C13H22N2OS — CID 107385776

IUPAC4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(COC2(C)CCCNC2)cs1
InChIInChI=1S/C13H22N2OS/c1-3-5-12-15-11(9-17-12)8-16-13(2)6-4-7-14-10-13/h9,14H,3-8,10H2,1-2H3
InChIKeyACPQBMJCPNECFR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.75
Rot. Bonds5

About 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole

4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole (PubChem CID 107385776) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole
PubChem CID107385776
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(COC2(C)CCCNC2)cs1
InChIInChI=1S/C13H22N2OS/c1-3-5-12-15-11(9-17-12)8-16-13(2)6-4-7-14-10-13/h9,14H,3-8,10H2,1-2H3
InChIKeyACPQBMJCPNECFR-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole?
The IUPAC name of 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole (CID 107385776) is 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole is CCCc1nc(COC2(C)CCCNC2)cs1.
What is the InChIKey of 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole?
The InChIKey is ACPQBMJCPNECFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-5-12-15-11(9-17-12)8-16-13(2)6-4-7-14-10-13/h9,14H,3-8,10H2,1-2H3.
What are the key properties of 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole?
4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole has a molecular weight of 254.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole is sourced from PubChem (CID 107385776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).