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

C12H21N3 — CID 11337639

IUPAC1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESCCN1CCC(CCc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-2-15-7-5-11(6-8-15)3-4-12-9-13-10-14-12/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyQWJFDDXRCODOFF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.07
Rot. Bonds4

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

1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine (PubChem CID 11337639) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
PubChem CID11337639
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESCCN1CCC(CCc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-2-15-7-5-11(6-8-15)3-4-12-9-13-10-14-12/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyQWJFDDXRCODOFF-UHFFFAOYSA-N
XLogP2.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The IUPAC name of 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine (CID 11337639) is 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The canonical SMILES for 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine is CCN1CCC(CCc2cnc[nH]2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The InChIKey is QWJFDDXRCODOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-15-7-5-11(6-8-15)3-4-12-9-13-10-14-12/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 11337639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).