4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine

C17H27N3 — CID 114720372

IUPAC4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2CC2CC3CCC2C3)CCNCC1
InChIInChI=1S/C17H27N3/c1-17(4-6-18-7-5-17)16-10-19-12-20(16)11-15-9-13-2-3-14(15)8-13/h10,12-15,18H,2-9,11H2,1H3
InChIKeyUHWBCMLMHKSNBQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.96
Rot. Bonds3

About 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine

4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 114720372) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID114720372
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2CC2CC3CCC2C3)CCNCC1
InChIInChI=1S/C17H27N3/c1-17(4-6-18-7-5-17)16-10-19-12-20(16)11-15-9-13-2-3-14(15)8-13/h10,12-15,18H,2-9,11H2,1H3
InChIKeyUHWBCMLMHKSNBQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine (CID 114720372) is 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine is CC1(c2cncn2CC2CC3CCC2C3)CCNCC1.
What is the InChIKey of 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is UHWBCMLMHKSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(4-6-18-7-5-17)16-10-19-12-20(16)11-15-9-13-2-3-14(15)8-13/h10,12-15,18H,2-9,11H2,1H3.
What are the key properties of 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 273.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114720372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).