4-(1-bromoethyl)-1-(2-methylbutyl)piperidine

C12H24BrN — CID 106838267

IUPAC4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(C(C)Br)CC1
InChIInChI=1S/C12H24BrN/c1-4-10(2)9-14-7-5-12(6-8-14)11(3)13/h10-12H,4-9H2,1-3H3
InChIKeyDEJXCYFXFGCTPX-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds4

About 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine

4-(1-bromoethyl)-1-(2-methylbutyl)piperidine (PubChem CID 106838267) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
PubChem CID106838267
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(C(C)Br)CC1
InChIInChI=1S/C12H24BrN/c1-4-10(2)9-14-7-5-12(6-8-14)11(3)13/h10-12H,4-9H2,1-3H3
InChIKeyDEJXCYFXFGCTPX-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
1-(2-methylbutyl)azocan-5-amine
CID 138578354
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656
4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
CID 167107327
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
3-chloro-4-methyl-1-(2-methylbutyl)piperidine
CID 102959883
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
ethane;4-(2-methylbutyl)morpholine
CID 142525427

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine (CID 106838267) is 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine is CCC(C)CN1CCC(C(C)Br)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine?
The InChIKey is DEJXCYFXFGCTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-4-10(2)9-14-7-5-12(6-8-14)11(3)13/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine?
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 106838267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).