(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine

C16H23NO2 — CID 52763520

IUPAC(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1Cc1cccc2c1OCCO2
InChIInChI=1S/C16H23NO2/c1-2-14-7-3-4-9-17(14)12-13-6-5-8-15-16(13)19-11-10-18-15/h5-6,8,14H,2-4,7,9-12H2,1H3/t14-/m0/s1
InChIKeySEWDXKOSHKJYDO-AWEZNQCLSA-N
MW261.37 g/mol
LogP3.22
Rot. Bonds3

About (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine

(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine (PubChem CID 52763520) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine
PubChem CID52763520
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1Cc1cccc2c1OCCO2
InChIInChI=1S/C16H23NO2/c1-2-14-7-3-4-9-17(14)12-13-6-5-8-15-16(13)19-11-10-18-15/h5-6,8,14H,2-4,7,9-12H2,1H3/t14-/m0/s1
InChIKeySEWDXKOSHKJYDO-AWEZNQCLSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide
CID 95281182
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95308395
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethylpiperidine
CID 112799650
4-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1-methylpyrazole
CID 154747688
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,4-dimethylpiperazine
CID 154748269
1-[(2-bromo-3-fluorophenyl)methyl]-2-ethylazepane
CID 104691389
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71928467
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylcyclohexan-1-amine
CID 43709254
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136554451

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine?
The IUPAC name of (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine (CID 52763520) is (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine.
What is the SMILES notation for (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine?
The canonical SMILES for (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine is CC[C@H]1CCCCN1Cc1cccc2c1OCCO2.
What is the InChIKey of (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine?
The InChIKey is SEWDXKOSHKJYDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-14-7-3-4-9-17(14)12-13-6-5-8-15-16(13)19-11-10-18-15/h5-6,8,14H,2-4,7,9-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine?
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine has a molecular weight of 261.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine is sourced from PubChem (CID 52763520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).