(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine

C15H22N4OS — CID 29105696

IUPAC(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCOCc1cn(C[C@H]2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C15H22N4OS/c1-20-11-15-10-19(17-16-15)9-13-3-2-5-18(7-13)8-14-4-6-21-12-14/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3/t13-/m0/s1
InChIKeyWOPBAJFQLAQZGY-ZDUSSCGKSA-N
MW306.44 g/mol
LogP2.40
Rot. Bonds6

About (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine

(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 29105696) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine
PubChem CID29105696
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCOCc1cn(C[C@H]2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C15H22N4OS/c1-20-11-15-10-19(17-16-15)9-13-3-2-5-18(7-13)8-14-4-6-21-12-14/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3/t13-/m0/s1
InChIKeyWOPBAJFQLAQZGY-ZDUSSCGKSA-N
XLogP2.40
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine (CID 29105696) is (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine is COCc1cn(C[C@H]2CCCN(Cc3ccsc3)C2)nn1.
What is the InChIKey of (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is WOPBAJFQLAQZGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-20-11-15-10-19(17-16-15)9-13-3-2-5-18(7-13)8-14-4-6-21-12-14/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine?
(3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 306.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 29105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).