3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine

C12H21N3OS — CID 66902581

IUPAC3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOCCC(N)(c1nccs1)C1CCNCC1
InChIInChI=1S/C12H21N3OS/c1-16-8-4-12(13,11-15-7-9-17-11)10-2-5-14-6-3-10/h7,9-10,14H,2-6,8,13H2,1H3
InChIKeyYKIQPBWEROFWAW-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.33
Rot. Bonds5

About 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine

3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 66902581) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID66902581
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOCCC(N)(c1nccs1)C1CCNCC1
InChIInChI=1S/C12H21N3OS/c1-16-8-4-12(13,11-15-7-9-17-11)10-2-5-14-6-3-10/h7,9-10,14H,2-6,8,13H2,1H3
InChIKeyYKIQPBWEROFWAW-UHFFFAOYSA-N
XLogP1.33
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,6S,8aR)-6-methyl-8a-(1,3-thiazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 145974600
4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
3-[[1-(1,3-Thiazol-2-yl)cyclopentyl]amino]propan-1-ol
CID 71859868
4-Fluoro-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pentan-1-amine
CID 103392378
3-[2-Fluoro-2-methyl-3-(1,3-thiazol-2-yl)propyl]morpholine
CID 116011146
3-(1,3-Thiazol-2-ylmethyl)piperidin-4-ol
CID 67257846
1-Piperidin-4-yl-1-(1,3-thiazol-2-yl)ethanamine
CID 68381715
3-Piperidin-3-yl-3-(1,3-thiazol-2-yl)propan-1-ol
CID 68381718
3-Piperidin-4-yl-3-(1,3-thiazol-2-yl)propan-1-ol
CID 68381731
2-Piperidin-3-yl-2-(1,3-thiazol-2-yl)ethanol
CID 68381795
2-[(3S,4S)-4-methoxypiperidin-3-yl]-1,3-thiazole
CID 89713624
2-(4-Methoxypiperidin-3-yl)-1,3-thiazole
CID 89713625

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine (CID 66902581) is 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine is COCCC(N)(c1nccs1)C1CCNCC1.
What is the InChIKey of 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is YKIQPBWEROFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-16-8-4-12(13,11-15-7-9-17-11)10-2-5-14-6-3-10/h7,9-10,14H,2-6,8,13H2,1H3.
What are the key properties of 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine?
3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 66902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).