4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine

C16H27N3 — CID 114717091

IUPAC4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCCCC1n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H27N3/c1-13-5-3-4-6-14(13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h11-14,17H,3-10H2,1-2H3
InChIKeyYHIYZYOWDKOEOP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.28
Rot. Bonds2

About 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine

4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine (PubChem CID 114717091) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
PubChem CID114717091
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCCCC1n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H27N3/c1-13-5-3-4-6-14(13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h11-14,17H,3-10H2,1-2H3
InChIKeyYHIYZYOWDKOEOP-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine (CID 114717091) is 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine is CC1CCCCC1n1cncc1C1(C)CCNCC1.
What is the InChIKey of 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine?
The InChIKey is YHIYZYOWDKOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-3-4-6-14(13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine?
4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114717091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).