2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine

C13H19NO2S — CID 84593778

IUPAC2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1csc(CN2CCCCC2C2OCCO2)c1
InChIInChI=1S/C13H19NO2S/c1-2-6-14(10-11-4-3-9-17-11)12(5-1)13-15-7-8-16-13/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyAYMQAYUCEMYZLW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.48
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine

2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 84593778) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID84593778
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESc1csc(CN2CCCCC2C2OCCO2)c1
InChIInChI=1S/C13H19NO2S/c1-2-6-14(10-11-4-3-9-17-11)12(5-1)13-15-7-8-16-13/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyAYMQAYUCEMYZLW-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339333
[(4aS,7S,7aR)-4-(thiophen-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methanol
CID 98821640
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
(4S,4aS,8aS)-4-phenyl-1-(thiophen-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 70779192
(2S)-2-(1,3-dioxolan-2-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 95270190
(4aR,7aR)-6-methylsulfonyl-1-(thiophen-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97377270
(1R,8aS)-1-cyclohexyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124749486
[(3aR,6S,7aR)-4-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380371
(3aS,6aR)-4-pyrimidin-2-yl-1-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98821197
[(3aS,5S,7aS)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 124786607
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine (CID 84593778) is 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine is c1csc(CN2CCCCC2C2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is AYMQAYUCEMYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-6-14(10-11-4-3-9-17-11)12(5-1)13-15-7-8-16-13/h3-4,9,12-13H,1-2,5-8,10H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine?
2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 84593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).