3-(7-bromo-1,3-benzodioxol-4-yl)piperidine

C12H14BrNO2 — CID 117456883

IUPAC3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
SMILESBrc1ccc(C2CCCNC2)c2c1OCO2
InChIInChI=1S/C12H14BrNO2/c13-10-4-3-9(8-2-1-5-14-6-8)11-12(10)16-7-15-11/h3-4,8,14H,1-2,5-7H2
InChIKeyRFPYNXPNOOFUGT-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.64
Rot. Bonds1

About 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine

3-(7-bromo-1,3-benzodioxol-4-yl)piperidine (PubChem CID 117456883) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine.

Molecular Properties

Compound Name3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
PubChem CID117456883
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
SMILESBrc1ccc(C2CCCNC2)c2c1OCO2
InChIInChI=1S/C12H14BrNO2/c13-10-4-3-9(8-2-1-5-14-6-8)11-12(10)16-7-15-11/h3-4,8,14H,1-2,5-7H2
InChIKeyRFPYNXPNOOFUGT-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926
(3R)-3-(2-bromo-5-iodophenyl)piperidine
CID 131218525
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
3-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117456993
3-(4-bromofuran-3-yl)piperidine
CID 82390956
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(6-bromo-4H-1,3-benzodioxin-8-yl)piperidine
CID 117480009
3-(5-bromofuran-2-yl)piperidine
CID 82390955
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine?
The IUPAC name of 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine (CID 117456883) is 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine.
What is the SMILES notation for 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine?
The canonical SMILES for 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine is Brc1ccc(C2CCCNC2)c2c1OCO2.
What is the InChIKey of 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine?
The InChIKey is RFPYNXPNOOFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-10-4-3-9(8-2-1-5-14-6-8)11-12(10)16-7-15-11/h3-4,8,14H,1-2,5-7H2.
What are the key properties of 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine?
3-(7-bromo-1,3-benzodioxol-4-yl)piperidine has a molecular weight of 284.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1,3-benzodioxol-4-yl)piperidine is sourced from PubChem (CID 117456883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).