1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine

C12H25BrN2 — CID 65000171

IUPAC1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
SMILESCCC(CBr)CN1CCC(N(C)C)CC1
InChIInChI=1S/C12H25BrN2/c1-4-11(9-13)10-15-7-5-12(6-8-15)14(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJAFFSQCHGCSCDH-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine

1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 65000171) has the molecular formula C12H25BrN2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
PubChem CID65000171
Molecular FormulaC12H25BrN2
Molecular Weight277.25 g/mol
Exact Mass276.12
IUPAC Name1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
SMILESCCC(CBr)CN1CCC(N(C)C)CC1
InChIInChI=1S/C12H25BrN2/c1-4-11(9-13)10-15-7-5-12(6-8-15)14(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJAFFSQCHGCSCDH-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.43
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-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 112561270
1-[2-(bromomethyl)butyl]-4-propan-2-ylazepane
CID 64997806
1-[2-(bromomethyl)butyl]-4-ethylpiperazine
CID 65000720
4-[2-(bromomethyl)butyl]-1,4-thiazinane 1-oxide
CID 65000575
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245
2-[2-(bromomethyl)butyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935696
1-[3-(ethylamino)-2-methylpropyl]-N,N-dimethylpiperidin-4-amine
CID 62433719
(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine
CID 104960002
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
CID 43585962
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine (CID 65000171) is 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine is CCC(CBr)CN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is JAFFSQCHGCSCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2/c1-4-11(9-13)10-15-7-5-12(6-8-15)14(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 277.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 65000171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).