2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole

C13H22N2S — CID 144858579

IUPAC2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1(C)CCN(Cc2nccs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-13(2)5-8-15(9-6-13)11-12-14-7-10-16-12/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyBVPSSOXTDLETGT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole

2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 144858579) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID144858579
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCCCC1(C)CCN(Cc2nccs2)CC1
InChIInChI=1S/C13H22N2S/c1-3-4-13(2)5-8-15(9-6-13)11-12-14-7-10-16-12/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyBVPSSOXTDLETGT-UHFFFAOYSA-N
XLogP3.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole (CID 144858579) is 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole is CCCC1(C)CCN(Cc2nccs2)CC1.
What is the InChIKey of 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is BVPSSOXTDLETGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-4-13(2)5-8-15(9-6-13)11-12-14-7-10-16-12/h7,10H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 238.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-4-propylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 144858579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).