1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine

C18H31N5 — CID 126892681

IUPAC1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
SMILESc1cn(CCN2CC(N3CCN(C4CCCCC4)CC3)C2)cn1
InChIInChI=1S/C18H31N5/c1-2-4-17(5-3-1)22-10-12-23(13-11-22)18-14-21(15-18)9-8-20-7-6-19-16-20/h6-7,16-18H,1-5,8-15H2
InChIKeyGRWJTORDRHWGKO-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.52
Rot. Bonds5

About 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine

1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine (PubChem CID 126892681) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
PubChem CID126892681
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
SMILESc1cn(CCN2CC(N3CCN(C4CCCCC4)CC3)C2)cn1
InChIInChI=1S/C18H31N5/c1-2-4-17(5-3-1)22-10-12-23(13-11-22)18-14-21(15-18)9-8-20-7-6-19-16-20/h6-7,16-18H,1-5,8-15H2
InChIKeyGRWJTORDRHWGKO-UHFFFAOYSA-N
XLogP1.52
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
CID 124616926
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
4-[(3R)-1-(2-imidazol-1-ylethyl)piperidin-3-yl]sulfonylmorpholine
CID 124885146
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
1-(cyclooctylmethyl)imidazole
CID 20550238
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 55169547

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine (CID 126892681) is 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine is c1cn(CCN2CC(N3CCN(C4CCCCC4)CC3)C2)cn1.
What is the InChIKey of 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine?
The InChIKey is GRWJTORDRHWGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5/c1-2-4-17(5-3-1)22-10-12-23(13-11-22)18-14-21(15-18)9-8-20-7-6-19-16-20/h6-7,16-18H,1-5,8-15H2.
What are the key properties of 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine?
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine has a molecular weight of 317.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 126892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).