3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine

C13H21N3O2 — CID 114704448

IUPAC3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine
SMILESc1ncn(CC2COCCO2)c1C1CCCNC1
InChIInChI=1S/C13H21N3O2/c1-2-11(6-14-3-1)13-7-15-10-16(13)8-12-9-17-4-5-18-12/h7,10-12,14H,1-6,8-9H2
InChIKeyWMULUIGKDNUVCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds3

About 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine

3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine (PubChem CID 114704448) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine
PubChem CID114704448
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine
SMILESc1ncn(CC2COCCO2)c1C1CCCNC1
InChIInChI=1S/C13H21N3O2/c1-2-11(6-14-3-1)13-7-15-10-16(13)8-12-9-17-4-5-18-12/h7,10-12,14H,1-6,8-9H2
InChIKeyWMULUIGKDNUVCY-UHFFFAOYSA-N
XLogP0.77
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
5-ethyl-2-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377495
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine (CID 114704448) is 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine is c1ncn(CC2COCCO2)c1C1CCCNC1.
What is the InChIKey of 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine?
The InChIKey is WMULUIGKDNUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11(6-14-3-1)13-7-15-10-16(13)8-12-9-17-4-5-18-12/h7,10-12,14H,1-6,8-9H2.
What are the key properties of 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine?
3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine has a molecular weight of 251.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).