1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

C14H25N3OS — CID 77079650

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(C)Cc2cscn2)CC1
InChIInChI=1S/C14H25N3OS/c1-16(10-14-11-19-12-15-14)9-13-3-5-17(6-4-13)7-8-18-2/h11-13H,3-10H2,1-2H3
InChIKeyDGMIRNWUGCCBDJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.93
Rot. Bonds7

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 77079650) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID77079650
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(C)Cc2cscn2)CC1
InChIInChI=1S/C14H25N3OS/c1-16(10-14-11-19-12-15-14)9-13-3-5-17(6-4-13)7-8-18-2/h11-13H,3-10H2,1-2H3
InChIKeyDGMIRNWUGCCBDJ-UHFFFAOYSA-N
XLogP1.93
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
4-[(4-Methoxypiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 53527622
[1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 53528553
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-acetyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
CID 47869532
1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 95758642
4-[(3-Fluoro-3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 126793611
4-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793860
4-[[(3S)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488154
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-1,3-thiazole
CID 129488155
4-[[3-(Methoxymethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 56724408
4-{2-[1-(1,3-Thiazol-4-ylmethyl)-2-piperidinyl]ethyl}morpholine
CID 56882905

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 77079650) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is COCCN1CCC(CN(C)Cc2cscn2)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is DGMIRNWUGCCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-16(10-14-11-19-12-15-14)9-13-3-5-17(6-4-13)7-8-18-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 283.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 77079650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).