1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine

C17H24N2O2 — CID 63256117

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1cc2c(cc1CN1CCC(C3CCCN3)CC1)OCO2
InChIInChI=1S/C17H24N2O2/c1-2-15(18-7-1)14-5-8-19(9-6-14)11-13-3-4-16-17(10-13)21-12-20-16/h3-4,10,14-15,18H,1-2,5-9,11-12H2
InChIKeyTZYRSZJPUQOOTL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine

1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 63256117) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID63256117
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1cc2c(cc1CN1CCC(C3CCCN3)CC1)OCO2
InChIInChI=1S/C17H24N2O2/c1-2-15(18-7-1)14-5-8-19(9-6-14)11-13-3-4-16-17(10-13)21-12-20-16/h3-4,10,14-15,18H,1-2,5-9,11-12H2
InChIKeyTZYRSZJPUQOOTL-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
1-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperazine
CID 64953784
(2S,3aS,7aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388831
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678269
1-(1,3-benzodioxol-5-ylmethyl)-3-propyl-1,4-diazepane
CID 64950183
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
trans-(1R,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexan-1-ol
CID 15925791
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255802

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine (CID 63256117) is 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine is c1cc2c(cc1CN1CCC(C3CCCN3)CC1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is TZYRSZJPUQOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-15(18-7-1)14-5-8-19(9-6-14)11-13-3-4-16-17(10-13)21-12-20-16/h3-4,10,14-15,18H,1-2,5-9,11-12H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine?
1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 288.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).