5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole

C16H21N3OS — CID 163348061

IUPAC5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnccc1OCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyBZWUILRIVRCSRF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.14
Rot. Bonds5

About 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole

5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 163348061) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID163348061
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnccc1OCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyBZWUILRIVRCSRF-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 155974905
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
CID 155974715
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 163348061) is 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cnccc1OCC1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BZWUILRIVRCSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3.
What are the key properties of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 163348061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).