1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine

C17H25NO2 — CID 176959544

IUPAC1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine
SMILESCCCC(Cc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-2-6-15(18-9-4-3-5-10-18)11-14-7-8-16-17(12-14)20-13-19-16/h7-8,12,15H,2-6,9-11,13H2,1H3
InChIKeyALEJKYYPWWMWOO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.61
Rot. Bonds5

About 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine

1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine (PubChem CID 176959544) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine
PubChem CID176959544
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine
SMILESCCCC(Cc1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-2-6-15(18-9-4-3-5-10-18)11-14-7-8-16-17(12-14)20-13-19-16/h7-8,12,15H,2-6,9-11,13H2,1H3
InChIKeyALEJKYYPWWMWOO-UHFFFAOYSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpropanenitrile
CID 82089529
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 82090875
5-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylpentanal
CID 174791796
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
(2S)-1-(1,3-benzodioxol-5-yl)butan-2-amine
CID 54579998
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
4-(1,3-benzodioxol-5-ylmethyl)-1-piperidin-1-ylhex-2-en-1-one
CID 73153081
5-[(2R)-2-azidopropyl]-1,3-benzodioxole
CID 150458860
N-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]-4-methylaniline;hydrochloride
CID 22007036
(E)-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-3-methyl-4-pyrrolidin-1-ylpent-2-enamide
CID 174092630
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine (CID 176959544) is 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine is CCCC(Cc1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine?
The InChIKey is ALEJKYYPWWMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-6-15(18-9-4-3-5-10-18)11-14-7-8-16-17(12-14)20-13-19-16/h7-8,12,15H,2-6,9-11,13H2,1H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine?
1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine is sourced from PubChem (CID 176959544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).