4-bromo-2-piperidin-1-ylpyridine

C10H13BrN2 — CID 4172707

IUPAC4-bromo-2-piperidin-1-ylpyridine
SMILESBrc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeySRJWDPFVNPQGDM-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.83
Rot. Bonds1

About 4-bromo-2-piperidin-1-ylpyridine

4-bromo-2-piperidin-1-ylpyridine (PubChem CID 4172707) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 4-bromo-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name4-bromo-2-piperidin-1-ylpyridine
PubChem CID4172707
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name4-bromo-2-piperidin-1-ylpyridine
SMILESBrc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeySRJWDPFVNPQGDM-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-piperidin-1-ylpyridine?
The IUPAC name of 4-bromo-2-piperidin-1-ylpyridine (CID 4172707) is 4-bromo-2-piperidin-1-ylpyridine.
What is the SMILES notation for 4-bromo-2-piperidin-1-ylpyridine?
The canonical SMILES for 4-bromo-2-piperidin-1-ylpyridine is Brc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 4-bromo-2-piperidin-1-ylpyridine?
The InChIKey is SRJWDPFVNPQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 4-bromo-2-piperidin-1-ylpyridine?
4-bromo-2-piperidin-1-ylpyridine has a molecular weight of 241.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-piperidin-1-ylpyridine is sourced from PubChem (CID 4172707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).