4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine

C11H21BrN2 — CID 107913826

IUPAC4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine
SMILESBrC1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C11H21BrN2/c12-11-3-7-14(8-4-11)10-9-13-5-1-2-6-13/h11H,1-10H2
InChIKeyFTVMGIMBBLASEN-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.94
Rot. Bonds3

About 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine

4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine (PubChem CID 107913826) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine
PubChem CID107913826
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC Name4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine
SMILESBrC1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C11H21BrN2/c12-11-3-7-14(8-4-11)10-9-13-5-1-2-6-13/h11H,1-10H2
InChIKeyFTVMGIMBBLASEN-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.94
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-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
4-bromo-1-(3-methylsulfonylpropyl)piperidine
CID 80679011
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
1-[2-(azetidin-1-yl)ethyl]-4-ethylazocane;ethane
CID 143029154
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
4-ethylsulfonyl-1-(2-piperidin-1-ylethyl)piperidine
CID 99838345

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine (CID 107913826) is 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine is BrC1CCN(CCN2CCCC2)CC1.
What is the InChIKey of 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is FTVMGIMBBLASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2/c12-11-3-7-14(8-4-11)10-9-13-5-1-2-6-13/h11H,1-10H2.
What are the key properties of 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine?
4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 261.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 107913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).