1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine

C12H20Br2N2 — CID 135076469

IUPAC1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine
SMILESBrC(Br)=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H20Br2N2/c13-11(14)12(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H2
InChIKeyRQCITAQDDDWZEI-UHFFFAOYSA-N
MW352.11 g/mol
LogP3.87
Rot. Bonds2

About 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine

1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine (PubChem CID 135076469) has the molecular formula C12H20Br2N2 and a molecular weight of 352.11 g/mol. Its IUPAC name is 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine
PubChem CID135076469
Molecular FormulaC12H20Br2N2
Molecular Weight352.11 g/mol
Exact Mass350.00
IUPAC Name1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine
SMILESBrC(Br)=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H20Br2N2/c13-11(14)12(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H2
InChIKeyRQCITAQDDDWZEI-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dipiperidinomethane
CID 70151
1-(1-Piperidin-1-ylethenyl)piperidine
CID 305944
1-(Bromo-fluoro-piperidin-1-ylmethyl)piperidine
CID 140492290
1-[2,2-Dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine
CID 135076543
1-((214C)azinan-1-ylmethyl)piperidine
CID 54079561
CID 101267351
CID 101267351
CID 177544373
CID 177544373

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine?
The IUPAC name of 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine (CID 135076469) is 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine.
What is the SMILES notation for 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine?
The canonical SMILES for 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine is BrC(Br)=C(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine?
The InChIKey is RQCITAQDDDWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2N2/c13-11(14)12(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H2.
What are the key properties of 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine?
1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine has a molecular weight of 352.11 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromo-1-piperidin-1-ylethenyl)piperidine is sourced from PubChem (CID 135076469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).