4-[3-(1H-imidazol-5-yl)propyl]piperidine

C11H19N3 — CID 10330240

IUPAC4-[3-(1H-imidazol-5-yl)propyl]piperidine
SMILESc1ncc(CCCC2CCNCC2)[nH]1
InChIInChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyYPGRNKJNOSUCLY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.73
Rot. Bonds4

About 4-[3-(1H-imidazol-5-yl)propyl]piperidine

4-[3-(1H-imidazol-5-yl)propyl]piperidine (PubChem CID 10330240) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-5-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-5-yl)propyl]piperidine
PubChem CID10330240
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-[3-(1H-imidazol-5-yl)propyl]piperidine
SMILESc1ncc(CCCC2CCNCC2)[nH]1
InChIInChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeyYPGRNKJNOSUCLY-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-5-yl)propyl]piperidine?
The IUPAC name of 4-[3-(1H-imidazol-5-yl)propyl]piperidine (CID 10330240) is 4-[3-(1H-imidazol-5-yl)propyl]piperidine.
What is the SMILES notation for 4-[3-(1H-imidazol-5-yl)propyl]piperidine?
The canonical SMILES for 4-[3-(1H-imidazol-5-yl)propyl]piperidine is c1ncc(CCCC2CCNCC2)[nH]1.
What is the InChIKey of 4-[3-(1H-imidazol-5-yl)propyl]piperidine?
The InChIKey is YPGRNKJNOSUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 4-[3-(1H-imidazol-5-yl)propyl]piperidine?
4-[3-(1H-imidazol-5-yl)propyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-5-yl)propyl]piperidine is sourced from PubChem (CID 10330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).