2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine

C11H16BrN3 — CID 80679402

IUPAC2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
SMILESBrCCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H16BrN3/c12-5-4-10-3-1-8-15(9-10)11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9H2
InChIKeyHNXXBGQODSTBOW-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.48
Rot. Bonds3

About 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine

2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine (PubChem CID 80679402) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
PubChem CID80679402
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
SMILESBrCCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H16BrN3/c12-5-4-10-3-1-8-15(9-10)11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9H2
InChIKeyHNXXBGQODSTBOW-UHFFFAOYSA-N
XLogP2.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
4-[3-(2-bromoethyl)piperidin-1-yl]-5-iodopyrimidine
CID 80679066
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069
4-[3-(2-bromoethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734126
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
CID 99853750
1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86781884

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine (CID 80679402) is 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine is BrCCC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine?
The InChIKey is HNXXBGQODSTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-5-4-10-3-1-8-15(9-10)11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine?
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine has a molecular weight of 270.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 80679402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).