2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine

C15H29BrN2 — CID 107914062

IUPAC2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
SMILESCC(Br)C1CCN(CCC2CCCCN2C)CC1
InChIInChI=1S/C15H29BrN2/c1-13(16)14-6-10-18(11-7-14)12-8-15-5-3-4-9-17(15)2/h13-15H,3-12H2,1-2H3
InChIKeyFHMMJUCGJBVWCP-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine

2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine (PubChem CID 107914062) has the molecular formula C15H29BrN2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
PubChem CID107914062
Molecular FormulaC15H29BrN2
Molecular Weight317.32 g/mol
Exact Mass316.15
IUPAC Name2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
SMILESCC(Br)C1CCN(CCC2CCCCN2C)CC1
InChIInChI=1S/C15H29BrN2/c1-13(16)14-6-10-18(11-7-14)12-8-15-5-3-4-9-17(15)2/h13-15H,3-12H2,1-2H3
InChIKeyFHMMJUCGJBVWCP-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
CID 63126773
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine (CID 107914062) is 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine is CC(Br)C1CCN(CCC2CCCCN2C)CC1.
What is the InChIKey of 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine?
The InChIKey is FHMMJUCGJBVWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN2/c1-13(16)14-6-10-18(11-7-14)12-8-15-5-3-4-9-17(15)2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine?
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine has a molecular weight of 317.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine is sourced from PubChem (CID 107914062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).