1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine

C15H28BrNO — CID 106588374

IUPAC1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H28BrNO/c1-18-11-14-6-5-9-17(10-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3
InChIKeyQZOPJCQWHVYQAW-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.69
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine

1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine (PubChem CID 106588374) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
PubChem CID106588374
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC Name1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H28BrNO/c1-18-11-14-6-5-9-17(10-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3
InChIKeyQZOPJCQWHVYQAW-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.69
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-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517
[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
CID 106587463
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-propylazepane
CID 65006739
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
CID 106588972
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine (CID 106588374) is 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine is COCC1CCCN(CC2(CBr)CCCCC2)C1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine?
The InChIKey is QZOPJCQWHVYQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-18-11-14-6-5-9-17(10-14)13-15(12-16)7-3-2-4-8-15/h14H,2-13H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine?
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine has a molecular weight of 318.30 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 106588374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).