3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

C13H23N3 — CID 86820590

IUPAC3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCCNC1
InChIInChI=1S/C13H23N3/c1-3-7-16-11(2)9-15-13(16)8-12-5-4-6-14-10-12/h9,12,14H,3-8,10H2,1-2H3
InChIKeyLNHRYHDKJPGNFN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.14
Rot. Bonds4

About 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (PubChem CID 86820590) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
PubChem CID86820590
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCCNC1
InChIInChI=1S/C13H23N3/c1-3-7-16-11(2)9-15-13(16)8-12-5-4-6-14-10-12/h9,12,14H,3-8,10H2,1-2H3
InChIKeyLNHRYHDKJPGNFN-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (CID 86820590) is 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is CCCn1c(C)cnc1CC1CCCNC1.
What is the InChIKey of 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The InChIKey is LNHRYHDKJPGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-16-11(2)9-15-13(16)8-12-5-4-6-14-10-12/h9,12,14H,3-8,10H2,1-2H3.
What are the key properties of 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 86820590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).