4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine

C13H21BrN4 — CID 141442791

IUPAC4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine
SMILESBrc1cn(CCN2CCC2)c(C2CCNCC2)n1
InChIInChI=1S/C13H21BrN4/c14-12-10-18(9-8-17-6-1-7-17)13(16-12)11-2-4-15-5-3-11/h10-11,15H,1-9H2
InChIKeyZWAKYAVLTNHPNR-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.82
Rot. Bonds4

About 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine

4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine (PubChem CID 141442791) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine
PubChem CID141442791
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine
SMILESBrc1cn(CCN2CCC2)c(C2CCNCC2)n1
InChIInChI=1S/C13H21BrN4/c14-12-10-18(9-8-17-6-1-7-17)13(16-12)11-2-4-15-5-3-11/h10-11,15H,1-9H2
InChIKeyZWAKYAVLTNHPNR-UHFFFAOYSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67113242
tert-butyl 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine-1-carboxylate
CID 89442949
4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67264904
4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442697
4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine
CID 89442875
4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442702
4-(1-ethyl-4-methylimidazol-2-yl)piperidine
CID 82463366
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
4-[4-[4-cyclopropyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 123524858
tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67112018
1-bromo-3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247544
4-[1-[2-(3-fluoroazetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine
CID 89442750

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine?
The IUPAC name of 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine (CID 141442791) is 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine is Brc1cn(CCN2CCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine?
The InChIKey is ZWAKYAVLTNHPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c14-12-10-18(9-8-17-6-1-7-17)13(16-12)11-2-4-15-5-3-11/h10-11,15H,1-9H2.
What are the key properties of 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine?
4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine has a molecular weight of 313.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine is sourced from PubChem (CID 141442791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).