1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol

C20H29N3OS — CID 100642452

IUPAC1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C20H29N3OS/c1-3-22(4-2)15-19-21-18(16-25-19)20(24)10-12-23(13-11-20)14-17-8-6-5-7-9-17/h5-9,16,24H,3-4,10-15H2,1-2H3
InChIKeyDUIXCJXKXYCNGO-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.47
Rot. Bonds7

About 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol

1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol (PubChem CID 100642452) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol
PubChem CID100642452
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C20H29N3OS/c1-3-22(4-2)15-19-21-18(16-25-19)20(24)10-12-23(13-11-20)14-17-8-6-5-7-9-17/h5-9,16,24H,3-4,10-15H2,1-2H3
InChIKeyDUIXCJXKXYCNGO-UHFFFAOYSA-N
XLogP3.47
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol (CID 100642452) is 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol is CCN(CC)Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1.
What is the InChIKey of 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The InChIKey is DUIXCJXKXYCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-3-22(4-2)15-19-21-18(16-25-19)20(24)10-12-23(13-11-20)14-17-8-6-5-7-9-17/h5-9,16,24H,3-4,10-15H2,1-2H3.
What are the key properties of 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol has a molecular weight of 359.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 100642452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).