5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine

C11H15BrClN3 — CID 106838520

IUPAC5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
SMILESCC(Cl)C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C11H15BrClN3/c1-8(13)9-2-4-16(5-3-9)11-10(12)6-14-7-15-11/h6-9H,2-5H2,1H3
InChIKeyOFEDPIONKGWEGR-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine

5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine (PubChem CID 106838520) has the molecular formula C11H15BrClN3 and a molecular weight of 304.62 g/mol. Its IUPAC name is 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
PubChem CID106838520
Molecular FormulaC11H15BrClN3
Molecular Weight304.62 g/mol
Exact Mass303.01
IUPAC Name5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine
SMILESCC(Cl)C1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C11H15BrClN3/c1-8(13)9-2-4-16(5-3-9)11-10(12)6-14-7-15-11/h6-9H,2-5H2,1H3
InChIKeyOFEDPIONKGWEGR-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.08
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

1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112627790
3-[4-(1-chloroethyl)piperidin-1-yl]-2,5-dimethylpyrazine
CID 106838567
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
5-bromo-4-(3-methoxypiperidin-1-yl)pyrimidine
CID 103779967
1-[1-(5-bromo-2-chloropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836946
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143
3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
1-(5-bromopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407437
5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine (CID 106838520) is 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine is CC(Cl)C1CCN(c2ncncc2Br)CC1.
What is the InChIKey of 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine?
The InChIKey is OFEDPIONKGWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3/c1-8(13)9-2-4-16(5-3-9)11-10(12)6-14-7-15-11/h6-9H,2-5H2,1H3.
What are the key properties of 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine?
5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine has a molecular weight of 304.62 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(1-chloroethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 106838520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).