1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine

C12H22BrN — CID 65013837

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2(CBr)CC2)C1
InChIInChI=1S/C12H22BrN/c1-10-5-11(2)7-14(6-10)9-12(8-13)3-4-12/h10-11H,3-9H2,1-2H3
InChIKeyJRZATTOLIWBALV-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.14
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine

1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine (PubChem CID 65013837) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine
PubChem CID65013837
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2(CBr)CC2)C1
InChIInChI=1S/C12H22BrN/c1-10-5-11(2)7-14(6-10)9-12(8-13)3-4-12/h10-11H,3-9H2,1-2H3
InChIKeyJRZATTOLIWBALV-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine
CID 65013718
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973
1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclobutan-1-amine
CID 81169692
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63483576
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
1-[(3,5-dimethylpiperidin-1-yl)methyl]-7-azabicyclo[2.2.1]heptane
CID 164663881
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628
4-[[1-(bromomethyl)cycloheptyl]methyl]-1,2-dimethylpiperazine
CID 65008123

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine (CID 65013837) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CC2(CBr)CC2)C1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine?
The InChIKey is JRZATTOLIWBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN/c1-10-5-11(2)7-14(6-10)9-12(8-13)3-4-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine?
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine has a molecular weight of 260.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 65013837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).