4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine

C15H26N4 — CID 114706795

IUPAC4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
SMILESCC(Cn1cncc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C15H26N4/c1-13(18-8-2-3-9-18)11-19-12-17-10-15(19)14-4-6-16-7-5-14/h10,12-14,16H,2-9,11H2,1H3
InChIKeyNGMMVXPASCGVOL-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.83
Rot. Bonds4

About 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine

4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine (PubChem CID 114706795) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
PubChem CID114706795
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
SMILESCC(Cn1cncc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C15H26N4/c1-13(18-8-2-3-9-18)11-19-12-17-10-15(19)14-4-6-16-7-5-14/h10,12-14,16H,2-9,11H2,1H3
InChIKeyNGMMVXPASCGVOL-UHFFFAOYSA-N
XLogP1.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine (CID 114706795) is 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine is CC(Cn1cncc1C1CCNCC1)N1CCCC1.
What is the InChIKey of 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine?
The InChIKey is NGMMVXPASCGVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(18-8-2-3-9-18)11-19-12-17-10-15(19)14-4-6-16-7-5-14/h10,12-14,16H,2-9,11H2,1H3.
What are the key properties of 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine?
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).