4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine

C22H28N2O2 — CID 135135268

IUPAC4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc(C)n1
InChIInChI=1S/C22H28N2O2/c1-16-10-20(11-17(2)23-16)12-18-4-3-7-24(14-18)15-19-5-6-21-22(13-19)26-9-8-25-21/h5-6,10-11,13,18H,3-4,7-9,12,14-15H2,1-2H3
InChIKeyUTTGHHOFIIUXLV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.92
Rot. Bonds4

About 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine

4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine (PubChem CID 135135268) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
PubChem CID135135268
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
SMILESCc1cc(CC2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc(C)n1
InChIInChI=1S/C22H28N2O2/c1-16-10-20(11-17(2)23-16)12-18-4-3-7-24(14-18)15-19-5-6-21-22(13-19)26-9-8-25-21/h5-6,10-11,13,18H,3-4,7-9,12,14-15H2,1-2H3
InChIKeyUTTGHHOFIIUXLV-UHFFFAOYSA-N
XLogP3.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine with MolForge

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Related Compounds

4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135436
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
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
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104068
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95206581
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45236118
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
2-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-6-methoxy-3-methylpyridine
CID 146287948

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The IUPAC name of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine (CID 135135268) is 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine.
What is the SMILES notation for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The canonical SMILES for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine is Cc1cc(CC2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc(C)n1.
What is the InChIKey of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine?
The InChIKey is UTTGHHOFIIUXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-10-20(11-17(2)23-16)12-18-4-3-7-24(14-18)15-19-5-6-21-22(13-19)26-9-8-25-21/h5-6,10-11,13,18H,3-4,7-9,12,14-15H2,1-2H3.
What are the key properties of 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine?
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine has a molecular weight of 352.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine is sourced from PubChem (CID 135135268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).