1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine

C18H33BrN2 — CID 65007914

IUPAC1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine
SMILESBrCC1(CN2CCC(N3CCCCC3)C2)CCCCCC1
InChIInChI=1S/C18H33BrN2/c19-15-18(9-4-1-2-5-10-18)16-20-13-8-17(14-20)21-11-6-3-7-12-21/h17H,1-16H2
InChIKeyJLFHAUQOOFGUGD-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.28
Rot. Bonds4

About 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine

1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine (PubChem CID 65007914) has the molecular formula C18H33BrN2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine
PubChem CID65007914
Molecular FormulaC18H33BrN2
Molecular Weight357.38 g/mol
Exact Mass356.18
IUPAC Name1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine
SMILESBrCC1(CN2CCC(N3CCCCC3)C2)CCCCCC1
InChIInChI=1S/C18H33BrN2/c19-15-18(9-4-1-2-5-10-18)16-20-13-8-17(14-20)21-11-6-3-7-12-21/h17H,1-16H2
InChIKeyJLFHAUQOOFGUGD-UHFFFAOYSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.28
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-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine (CID 65007914) is 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine is BrCC1(CN2CCC(N3CCCCC3)C2)CCCCCC1.
What is the InChIKey of 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine?
The InChIKey is JLFHAUQOOFGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33BrN2/c19-15-18(9-4-1-2-5-10-18)16-20-13-8-17(14-20)21-11-6-3-7-12-21/h17H,1-16H2.
What are the key properties of 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine?
1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine has a molecular weight of 357.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(bromomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 65007914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).