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

C21H31N3O2S — CID 100642433

IUPAC4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C21H31N3O2S/c1-4-23(5-2)15-20-22-19(16-27-20)21(25)10-12-24(13-11-21)14-17-6-8-18(26-3)9-7-17/h6-9,16,25H,4-5,10-15H2,1-3H3
InChIKeyBGIDYJQPDUZOLE-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.48
Rot. Bonds8

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

4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 100642433) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID100642433
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC Name4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCN(CC)Cc1nc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)cs1
InChIInChI=1S/C21H31N3O2S/c1-4-23(5-2)15-20-22-19(16-27-20)21(25)10-12-24(13-11-21)14-17-6-8-18(26-3)9-7-17/h6-9,16,25H,4-5,10-15H2,1-3H3
InChIKeyBGIDYJQPDUZOLE-UHFFFAOYSA-N
XLogP3.48
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol (CID 100642433) is 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol is CCN(CC)Cc1nc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)cs1.
What is the InChIKey of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is BGIDYJQPDUZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-4-23(5-2)15-20-22-19(16-27-20)21(25)10-12-24(13-11-21)14-17-6-8-18(26-3)9-7-17/h6-9,16,25H,4-5,10-15H2,1-3H3.
What are the key properties of 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 389.57 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylaminomethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 100642433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).