1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine

C14H24Br2N2 — CID 135076543

IUPAC1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine
SMILESCC1CCN(C(=C(Br)Br)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24Br2N2/c1-11-3-7-17(8-4-11)14(13(15)16)18-9-5-12(2)6-10-18/h11-12H,3-10H2,1-2H3
InChIKeyMHEAFCWXPYUYIY-UHFFFAOYSA-N
MW380.17 g/mol
LogP4.37
Rot. Bonds2

About 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine

1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine (PubChem CID 135076543) has the molecular formula C14H24Br2N2 and a molecular weight of 380.17 g/mol. Its IUPAC name is 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine
PubChem CID135076543
Molecular FormulaC14H24Br2N2
Molecular Weight380.17 g/mol
Exact Mass378.03
IUPAC Name1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine
SMILESCC1CCN(C(=C(Br)Br)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24Br2N2/c1-11-3-7-17(8-4-11)14(13(15)16)18-9-5-12(2)6-10-18/h11-12H,3-10H2,1-2H3
InChIKeyMHEAFCWXPYUYIY-UHFFFAOYSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Methylenebis(4-methylpiperidine)
CID 6454772
1-(2,2-Dibromo-1-piperidin-1-ylethenyl)piperidine
CID 135076469
4-Methyl-1-[1-(4-methylpiperidin-1-yl)ethenyl]piperidine
CID 20530655
4-Ethyl-1-(1-piperidin-1-ylethyl)piperidine
CID 129215878
4-Methyl-1-(1-piperidin-1-ylethenyl)piperidine
CID 139565388
CID 177403537
CID 177403537

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine?
The IUPAC name of 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine (CID 135076543) is 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine?
The canonical SMILES for 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine is CC1CCN(C(=C(Br)Br)N2CCC(C)CC2)CC1.
What is the InChIKey of 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine?
The InChIKey is MHEAFCWXPYUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Br2N2/c1-11-3-7-17(8-4-11)14(13(15)16)18-9-5-12(2)6-10-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine?
1-[2,2-dibromo-1-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine has a molecular weight of 380.17 g/mol, XLogP of 4.37, 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-(4-methylpiperidin-1-yl)ethenyl]-4-methylpiperidine is sourced from PubChem (CID 135076543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).