2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine

C13H21N3O — CID 115041060

IUPAC2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
SMILESc1nc(CC2CCCCN2)[nH]c1C1CCOC1
InChIInChI=1S/C13H21N3O/c1-2-5-14-11(3-1)7-13-15-8-12(16-13)10-4-6-17-9-10/h8,10-11,14H,1-7,9H2,(H,15,16)
InChIKeyHJQAKEOTIAKHRZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds3

About 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine

2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 115041060) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
PubChem CID115041060
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine
SMILESc1nc(CC2CCCCN2)[nH]c1C1CCOC1
InChIInChI=1S/C13H21N3O/c1-2-5-14-11(3-1)7-13-15-8-12(16-13)10-4-6-17-9-10/h8,10-11,14H,1-7,9H2,(H,15,16)
InChIKeyHJQAKEOTIAKHRZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-(oxan-4-yl)-1H-imidazole
CID 116878137
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
5-cyclobutyl-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 84696945
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
2-[[3-chloro-4-(oxolan-3-yl)phenyl]methyl]pyrrolidine
CID 117418918
1-[5-(oxolan-3-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 105496720
2-(piperidin-2-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493342
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880224
3-[5-(oxan-4-yl)-1H-imidazol-2-yl]morpholine
CID 116881072

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine (CID 115041060) is 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine is c1nc(CC2CCCCN2)[nH]c1C1CCOC1.
What is the InChIKey of 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is HJQAKEOTIAKHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-5-14-11(3-1)7-13-15-8-12(16-13)10-4-6-17-9-10/h8,10-11,14H,1-7,9H2,(H,15,16).
What are the key properties of 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine?
2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(oxolan-3-yl)-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 115041060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).