2-[(4-bromopiperidin-1-yl)methyl]pyridine

C11H15BrN2 — CID 80680400

IUPAC2-[(4-bromopiperidin-1-yl)methyl]pyridine
SMILESBrC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C11H15BrN2/c12-10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2
InChIKeyNGSNRKJFIPVVMZ-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.44
Rot. Bonds2

About 2-[(4-bromopiperidin-1-yl)methyl]pyridine

2-[(4-bromopiperidin-1-yl)methyl]pyridine (PubChem CID 80680400) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-[(4-bromopiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-bromopiperidin-1-yl)methyl]pyridine
PubChem CID80680400
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-[(4-bromopiperidin-1-yl)methyl]pyridine
SMILESBrC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C11H15BrN2/c12-10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2
InChIKeyNGSNRKJFIPVVMZ-UHFFFAOYSA-N
XLogP2.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.44
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

2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
CID 59694740
CID 59694740
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(4-bromopiperidin-1-yl)methyl]pyridine (CID 80680400) is 2-[(4-bromopiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(4-bromopiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(4-bromopiperidin-1-yl)methyl]pyridine is BrC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-[(4-bromopiperidin-1-yl)methyl]pyridine?
The InChIKey is NGSNRKJFIPVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-4-7-14(8-5-10)9-11-3-1-2-6-13-11/h1-3,6,10H,4-5,7-9H2.
What are the key properties of 2-[(4-bromopiperidin-1-yl)methyl]pyridine?
2-[(4-bromopiperidin-1-yl)methyl]pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 80680400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).