4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine

C15H27N3 — CID 58395091

IUPAC4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
SMILESCc1nc(CN2CCC(C(C)C)CC2)n(C)c1C
InChIInChI=1S/C15H27N3/c1-11(2)14-6-8-18(9-7-14)10-15-16-12(3)13(4)17(15)5/h11,14H,6-10H2,1-5H3
InChIKeyMPEGJCMTPQYJJC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds3

About 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine

4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine (PubChem CID 58395091) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
PubChem CID58395091
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine
SMILESCc1nc(CN2CCC(C(C)C)CC2)n(C)c1C
InChIInChI=1S/C15H27N3/c1-11(2)14-6-8-18(9-7-14)10-15-16-12(3)13(4)17(15)5/h11,14H,6-10H2,1-5H3
InChIKeyMPEGJCMTPQYJJC-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine (CID 58395091) is 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine is Cc1nc(CN2CCC(C(C)C)CC2)n(C)c1C.
What is the InChIKey of 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine?
The InChIKey is MPEGJCMTPQYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)14-6-8-18(9-7-14)10-15-16-12(3)13(4)17(15)5/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine?
4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 58395091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).