1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine

C13H27BrN2 — CID 65000008

IUPAC1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CC(C)(C)CBr)CC1
InChIInChI=1S/C13H27BrN2/c1-13(2,10-14)11-16-7-5-12(6-8-16)9-15(3)4/h12H,5-11H2,1-4H3
InChIKeyRRIDKIPNJRBPNV-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.68
Rot. Bonds5

About 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 65000008) has the molecular formula C13H27BrN2 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID65000008
Molecular FormulaC13H27BrN2
Molecular Weight291.28 g/mol
Exact Mass290.14
IUPAC Name1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CC(C)(C)CBr)CC1
InChIInChI=1S/C13H27BrN2/c1-13(2,10-14)11-16-7-5-12(6-8-16)9-15(3)4/h12H,5-11H2,1-4H3
InChIKeyRRIDKIPNJRBPNV-UHFFFAOYSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.68
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-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 65000008) is 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(CC(C)(C)CBr)CC1.
What is the InChIKey of 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is RRIDKIPNJRBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrN2/c1-13(2,10-14)11-16-7-5-12(6-8-16)9-15(3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 291.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65000008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).