1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine

C15H29BrN2O — CID 65004912

IUPAC1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CC2(CBr)CCOCC2)CC1
InChIInChI=1S/C15H29BrN2O/c1-17(2)11-14-3-7-18(8-4-14)13-15(12-16)5-9-19-10-6-15/h14H,3-13H2,1-2H3
InChIKeyUWAXJUZDGRZCDW-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.45
Rot. Bonds5

About 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 65004912) has the molecular formula C15H29BrN2O and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID65004912
Molecular FormulaC15H29BrN2O
Molecular Weight333.31 g/mol
Exact Mass332.15
IUPAC Name1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(CC2(CBr)CCOCC2)CC1
InChIInChI=1S/C15H29BrN2O/c1-17(2)11-14-3-7-18(8-4-14)13-15(12-16)5-9-19-10-6-15/h14H,3-13H2,1-2H3
InChIKeyUWAXJUZDGRZCDW-UHFFFAOYSA-N
XLogP2.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]methanol
CID 65004548
1-[[4-(bromomethyl)oxan-4-yl]methyl]pyrrolidine
CID 65004744
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
methyl 1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidine-4-carboxylate
CID 65004644
4-[[4-(bromomethyl)oxan-4-yl]methyl]-1,4-oxazepane
CID 65004814
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
CID 65013559
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
N,N-dimethyl-1-[[4-(methylaminomethyl)oxan-4-yl]methyl]piperidin-4-amine
CID 55066091
[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391366
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 65004210
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 65004912) is 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(CC2(CBr)CCOCC2)CC1.
What is the InChIKey of 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is UWAXJUZDGRZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN2O/c1-17(2)11-14-3-7-18(8-4-14)13-15(12-16)5-9-19-10-6-15/h14H,3-13H2,1-2H3.
What are the key properties of 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 333.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(bromomethyl)oxan-4-yl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 65004912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).