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

C13H23N3 — CID 11474535

IUPAC4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCc2cnc[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)16-7-5-12(6-8-16)3-4-13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyKGARMEDKTMPIEF-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.46
Rot. Bonds4

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

4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine (PubChem CID 11474535) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine
PubChem CID11474535
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(CCc2cnc[nH]2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)16-7-5-12(6-8-16)3-4-13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyKGARMEDKTMPIEF-UHFFFAOYSA-N
XLogP2.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine (CID 11474535) is 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(CCc2cnc[nH]2)CC1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine?
The InChIKey is KGARMEDKTMPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)16-7-5-12(6-8-16)3-4-13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine?
4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 11474535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).