4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine

C14H19NO3 — CID 142009570

IUPAC4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19NO3/c1-2-15-7-5-11(6-8-15)18-12-3-4-13-14(9-12)17-10-16-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyWOALHNIKEMDGDG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.28
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine

4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine (PubChem CID 142009570) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
PubChem CID142009570
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
SMILESCCN1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19NO3/c1-2-15-7-5-11(6-8-15)18-12-3-4-13-14(9-12)17-10-16-13/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyWOALHNIKEMDGDG-UHFFFAOYSA-N
XLogP2.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-1-ethylpiperidine;ethane
CID 143698369
4-(4-tert-butylphenoxy)-1-ethylpiperidine
CID 118546891
4-(3,5-difluorophenoxy)-1-ethylpiperidine
CID 143394651
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
2-[(3S)-3-(1,3-benzodioxol-5-yloxy)pyrrolidin-1-yl]aniline
CID 141132457
2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45147871
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
CID 84755733
N-[[5-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]sulfonyl-1,3-benzodioxol-4-yl]methyl]hydroxylamine
CID 142028151
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
2-(1,3-benzodioxol-5-yloxy)cyclopentan-1-amine
CID 43211648
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine (CID 142009570) is 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine is CCN1CCC(Oc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine?
The InChIKey is WOALHNIKEMDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-15-7-5-11(6-8-15)18-12-3-4-13-14(9-12)17-10-16-13/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine?
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine has a molecular weight of 249.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine is sourced from PubChem (CID 142009570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).