3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole

C15H18N2S — CID 138045615

IUPAC3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ns1
InChIInChI=1S/C15H18N2S/c1-2-9-17(10-3-1)12-13-4-6-14(7-5-13)15-8-11-18-16-15/h4-8,11H,1-3,9-10,12H2
InChIKeyTYOCOYQRNGPEJX-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.80
Rot. Bonds3

About 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole

3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole (PubChem CID 138045615) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
PubChem CID138045615
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole
SMILESc1cc(-c2ccc(CN3CCCCC3)cc2)ns1
InChIInChI=1S/C15H18N2S/c1-2-9-17(10-3-1)12-13-4-6-14(7-5-13)15-8-11-18-16-15/h4-8,11H,1-3,9-10,12H2
InChIKeyTYOCOYQRNGPEJX-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethane;1-[(4-methylphenyl)methyl]piperidine
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1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
CID 136572670
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole?
The IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole (CID 138045615) is 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole.
What is the SMILES notation for 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole?
The canonical SMILES for 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole is c1cc(-c2ccc(CN3CCCCC3)cc2)ns1.
What is the InChIKey of 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole?
The InChIKey is TYOCOYQRNGPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-9-17(10-3-1)12-13-4-6-14(7-5-13)15-8-11-18-16-15/h4-8,11H,1-3,9-10,12H2.
What are the key properties of 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole?
3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-1-ylmethyl)phenyl]-1,2-thiazole is sourced from PubChem (CID 138045615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).