2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole

C14H23N3S — CID 175660162

IUPAC2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1csc(CN2CCCCC2C2CCNCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-9-17(11-14-16-8-10-18-14)13(3-1)12-4-6-15-7-5-12/h8,10,12-13,15H,1-7,9,11H2
InChIKeyNEAPDJATDXPLPL-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole

2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 175660162) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID175660162
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1csc(CN2CCCCC2C2CCNCC2)n1
InChIInChI=1S/C14H23N3S/c1-2-9-17(11-14-16-8-10-18-14)13(3-1)12-4-6-15-7-5-12/h8,10,12-13,15H,1-7,9,11H2
InChIKeyNEAPDJATDXPLPL-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline
CID 175660387
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
CID 69378769
2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
2-[[(3aS,6aR)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-1,3-thiazole
CID 97459042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole (CID 175660162) is 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole is c1csc(CN2CCCCC2C2CCNCC2)n1.
What is the InChIKey of 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is NEAPDJATDXPLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-9-17(11-14-16-8-10-18-14)13(3-1)12-4-6-15-7-5-12/h8,10,12-13,15H,1-7,9,11H2.
What are the key properties of 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 175660162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).