3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

C14H23N3O — CID 90488101

IUPAC3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCc1cnc(C2CCOCC2)n1C1CCCNC1
InChIInChI=1S/C14H23N3O/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13/h9,12-13,15H,2-8,10H2,1H3
InChIKeySAVNZMLFYSVRQK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds2

About 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine

3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (PubChem CID 90488101) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
PubChem CID90488101
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine
SMILESCc1cnc(C2CCOCC2)n1C1CCCNC1
InChIInChI=1S/C14H23N3O/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13/h9,12-13,15H,2-8,10H2,1H3
InChIKeySAVNZMLFYSVRQK-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
1-(3-Methoxypropyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820588
3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820590
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820592
4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 86820593
4-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidine
CID 90488052
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)piperidine
CID 90488108
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
N-Cyclohexyl-4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-YL]methyl}piperidine-1-carboxamide
CID 91911697

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The IUPAC name of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine (CID 90488101) is 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine.
What is the SMILES notation for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The canonical SMILES for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is Cc1cnc(C2CCOCC2)n1C1CCCNC1.
What is the InChIKey of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
The InChIKey is SAVNZMLFYSVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-16-14(12-4-7-18-8-5-12)17(11)13-3-2-6-15-10-13/h9,12-13,15H,2-8,10H2,1H3.
What are the key properties of 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine?
3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]piperidine is sourced from PubChem (CID 90488101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).