(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine

C14H19NOS — CID 79221419

IUPAC(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine
SMILESc1ccc2c(c1)SCC2CO[C@H]1CCCNC1
InChIInChI=1S/C14H19NOS/c1-2-6-14-13(5-1)11(10-17-14)9-16-12-4-3-7-15-8-12/h1-2,5-6,11-12,15H,3-4,7-10H2/t11?,12-/m0/s1
InChIKeyFDKTYPVRVBVABO-KIYNQFGBSA-N
MW249.38 g/mol
LogP2.64
Rot. Bonds3

About (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine

(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine (PubChem CID 79221419) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine
PubChem CID79221419
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine
SMILESc1ccc2c(c1)SCC2CO[C@H]1CCCNC1
InChIInChI=1S/C14H19NOS/c1-2-6-14-13(5-1)11(10-17-14)9-16-12-4-3-7-15-8-12/h1-2,5-6,11-12,15H,3-4,7-10H2/t11?,12-/m0/s1
InChIKeyFDKTYPVRVBVABO-KIYNQFGBSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine
CID 79465610
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)oxolane
CID 79404253
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
CID 79221195
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
CID 79221731
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
3-(cyclobutylmethoxy)piperidine
CID 53409348
3-[(2,4,6-trichlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79404243
3-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine
CID 178102394
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine?
The IUPAC name of (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine (CID 79221419) is (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine?
The canonical SMILES for (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine is c1ccc2c(c1)SCC2CO[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine?
The InChIKey is FDKTYPVRVBVABO-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-6-14-13(5-1)11(10-17-14)9-16-12-4-3-7-15-8-12/h1-2,5-6,11-12,15H,3-4,7-10H2/t11?,12-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine?
(3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine has a molecular weight of 249.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)piperidine is sourced from PubChem (CID 79221419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).