4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine

C13H21N3 — CID 75485601

IUPAC4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
SMILESc1cn(CC2CCC2)c(C2CCNCC2)n1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)10-16-9-8-15-13(16)12-4-6-14-7-5-12/h8-9,11-12,14H,1-7,10H2
InChIKeyKDUHPKWZJPGQRP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds3

About 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine

4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine (PubChem CID 75485601) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
PubChem CID75485601
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
SMILESc1cn(CC2CCC2)c(C2CCNCC2)n1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)10-16-9-8-15-13(16)12-4-6-14-7-5-12/h8-9,11-12,14H,1-7,10H2
InChIKeyKDUHPKWZJPGQRP-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine (CID 75485601) is 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine is c1cn(CC2CCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine?
The InChIKey is KDUHPKWZJPGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11(3-1)10-16-9-8-15-13(16)12-4-6-14-7-5-12/h8-9,11-12,14H,1-7,10H2.
What are the key properties of 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine?
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 75485601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).