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

C13H23N3 — CID 86820592

IUPAC3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCc1cnc(CC2CCCNC2)n1C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)16-11(3)8-15-13(16)7-12-5-4-6-14-9-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyOGWPVBVLEHTHJZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.31
Rot. Bonds3

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

3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine (PubChem CID 86820592) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
PubChem CID86820592
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCc1cnc(CC2CCCNC2)n1C(C)C
InChIInChI=1S/C13H23N3/c1-10(2)16-11(3)8-15-13(16)7-12-5-4-6-14-9-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyOGWPVBVLEHTHJZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine (CID 86820592) is 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine is Cc1cnc(CC2CCCNC2)n1C(C)C.
What is the InChIKey of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The InChIKey is OGWPVBVLEHTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)16-11(3)8-15-13(16)7-12-5-4-6-14-9-12/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine?
3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 86820592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).