1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine

C15H31BrN2 — CID 65003733

IUPAC1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCCC(CC)(CBr)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C15H31BrN2/c1-5-15(6-2,12-16)13-18-9-7-14(8-10-18)11-17(3)4/h14H,5-13H2,1-4H3
InChIKeyXASDWLNBGOGMML-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.46
Rot. Bonds7

About 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 65003733) has the molecular formula C15H31BrN2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID65003733
Molecular FormulaC15H31BrN2
Molecular Weight319.33 g/mol
Exact Mass318.17
IUPAC Name1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCCC(CC)(CBr)CN1CCC(CN(C)C)CC1
InChIInChI=1S/C15H31BrN2/c1-5-15(6-2,12-16)13-18-9-7-14(8-10-18)11-17(3)4/h14H,5-13H2,1-4H3
InChIKeyXASDWLNBGOGMML-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 65003733) is 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine is CCC(CC)(CBr)CN1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is XASDWLNBGOGMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrN2/c1-5-15(6-2,12-16)13-18-9-7-14(8-10-18)11-17(3)4/h14H,5-13H2,1-4H3.
What are the key properties of 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 319.33 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65003733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).