1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine

C10H16ClN3 — CID 91459452

IUPAC1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine
SMILESCCc1nc(N2CCCCC2)c(Cl)[nH]1
InChIInChI=1S/C10H16ClN3/c1-2-8-12-9(11)10(13-8)14-6-4-3-5-7-14/h2-7H2,1H3,(H,12,13)
InChIKeyPYRBZBZTSJCYHC-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.62
Rot. Bonds2

About 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine

1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine (PubChem CID 91459452) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine
PubChem CID91459452
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine
SMILESCCc1nc(N2CCCCC2)c(Cl)[nH]1
InChIInChI=1S/C10H16ClN3/c1-2-8-12-9(11)10(13-8)14-6-4-3-5-7-14/h2-7H2,1H3,(H,12,13)
InChIKeyPYRBZBZTSJCYHC-UHFFFAOYSA-N
XLogP2.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine?
The IUPAC name of 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine (CID 91459452) is 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine.
What is the SMILES notation for 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine?
The canonical SMILES for 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine is CCc1nc(N2CCCCC2)c(Cl)[nH]1.
What is the InChIKey of 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine?
The InChIKey is PYRBZBZTSJCYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-2-8-12-9(11)10(13-8)14-6-4-3-5-7-14/h2-7H2,1H3,(H,12,13).
What are the key properties of 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine?
1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine has a molecular weight of 213.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-1H-imidazol-4-yl)piperidine is sourced from PubChem (CID 91459452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).