1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine

C18H23N3O2 — CID 110104068

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)[nH]1
InChIInChI=1S/C18H23N3O2/c1-13-10-19-18(20-13)15-3-2-6-21(12-15)11-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9-10,15H,2-3,6-8,11-12H2,1H3,(H,19,20)
InChIKeyBPZYFTCSJGARSV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine (PubChem CID 110104068) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
PubChem CID110104068
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
SMILESCc1cnc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)[nH]1
InChIInChI=1S/C18H23N3O2/c1-13-10-19-18(20-13)15-3-2-6-21(12-15)11-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9-10,15H,2-3,6-8,11-12H2,1H3,(H,19,20)
InChIKeyBPZYFTCSJGARSV-UHFFFAOYSA-N
XLogP2.87
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
1-[(3,5-dimethoxyphenyl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104080
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 28730565
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124970369
2-methyl-5-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 125015783
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
1,3-benzodioxol-5-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125025134
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204325
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]acetic acid
CID 65059851
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine (CID 110104068) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine is Cc1cnc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)[nH]1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine?
The InChIKey is BPZYFTCSJGARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-19-18(20-13)15-3-2-6-21(12-15)11-14-4-5-16-17(9-14)23-8-7-22-16/h4-5,9-10,15H,2-3,6-8,11-12H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine has a molecular weight of 313.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 110104068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).