4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine

C22H31NO2 — CID 152987791

IUPAC4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine
SMILESc1cc2c(c(C3CCN(CCC4CCC5(CC4)CC5)CC3)c1)OCO2
InChIInChI=1S/C22H31NO2/c1-2-19(21-20(3-1)24-16-25-21)18-7-14-23(15-8-18)13-6-17-4-9-22(10-5-17)11-12-22/h1-3,17-18H,4-16H2
InChIKeyUVQSKXDVTYUBGM-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.96
Rot. Bonds4

About 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine

4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine (PubChem CID 152987791) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine
PubChem CID152987791
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine
SMILESc1cc2c(c(C3CCN(CCC4CCC5(CC4)CC5)CC3)c1)OCO2
InChIInChI=1S/C22H31NO2/c1-2-19(21-20(3-1)24-16-25-21)18-7-14-23(15-8-18)13-6-17-4-9-22(10-5-17)11-12-22/h1-3,17-18H,4-16H2
InChIKeyUVQSKXDVTYUBGM-UHFFFAOYSA-N
XLogP4.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1-(3-chlorocyclobutyl)ethanone
CID 159649883
1-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-[(3S)-oxan-3-yl]propan-2-one
CID 148937685
1-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-ethoxybutan-2-one
CID 147157174
N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-piperidin-3-ylacetamide
CID 123539943
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
CID 82623069
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 57386457
1-[2-[4-(benzenesulfonylmethyl)cyclohexyl]ethyl]-4-(1,3-benzodioxol-4-yl)piperazine
CID 158085168
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 57387211
1-[4-[2-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(4-methylpiperazin-1-yl)propan-2-one
CID 149366041
1-[4-[2-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutan-2-one
CID 159249472
[1-carbamoyl-4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl] pentanoate
CID 123928811
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine?
The IUPAC name of 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine (CID 152987791) is 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine.
What is the SMILES notation for 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine?
The canonical SMILES for 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine is c1cc2c(c(C3CCN(CCC4CCC5(CC4)CC5)CC3)c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine?
The InChIKey is UVQSKXDVTYUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-2-19(21-20(3-1)24-16-25-21)18-7-14-23(15-8-18)13-6-17-4-9-22(10-5-17)11-12-22/h1-3,17-18H,4-16H2.
What are the key properties of 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine?
4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine has a molecular weight of 341.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-4-yl)-1-(2-spiro[2.5]octan-6-ylethyl)piperidine is sourced from PubChem (CID 152987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).