4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine

C17H29N3OS — CID 70786625

IUPAC4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCCc1nc(C)sc1CN1CCCCC1CN1CCOCC1
InChIInChI=1S/C17H29N3OS/c1-3-16-17(22-14(2)18-16)13-20-7-5-4-6-15(20)12-19-8-10-21-11-9-19/h15H,3-13H2,1-2H3
InChIKeyGDXPTOPRTWXWFE-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.70
Rot. Bonds5

About 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine

4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine (PubChem CID 70786625) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
PubChem CID70786625
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCCc1nc(C)sc1CN1CCCCC1CN1CCOCC1
InChIInChI=1S/C17H29N3OS/c1-3-16-17(22-14(2)18-16)13-20-7-5-4-6-15(20)12-19-8-10-21-11-9-19/h15H,3-13H2,1-2H3
InChIKeyGDXPTOPRTWXWFE-UHFFFAOYSA-N
XLogP2.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[(6-methylquinolin-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 77083947
4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 46967160
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71867957
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 99930489
4-[[1-(imidazo[1,2-a]pyrazin-3-ylmethyl)piperidin-2-yl]methyl]morpholine
CID 154751583
4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
CID 100637336
4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
5-[2-(morpholin-4-ylmethyl)piperidin-1-yl]pentan-1-ol
CID 111489845
(2R)-1-methoxy-3-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129381040

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine (CID 70786625) is 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine is CCc1nc(C)sc1CN1CCCCC1CN1CCOCC1.
What is the InChIKey of 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is GDXPTOPRTWXWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-3-16-17(22-14(2)18-16)13-20-7-5-4-6-15(20)12-19-8-10-21-11-9-19/h15H,3-13H2,1-2H3.
What are the key properties of 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 323.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 70786625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).