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

C19H23N3O2 — CID 110114973

IUPAC4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-20-7-6-17(21-14)16-3-2-8-22(13-16)12-15-4-5-18-19(11-15)24-10-9-23-18/h4-7,11,16H,2-3,8-10,12-13H2,1H3
InChIKeyMTTGXBARHUWZJF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.94
Rot. Bonds3

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

4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine (PubChem CID 110114973) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
PubChem CID110114973
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
SMILESCc1nccc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C19H23N3O2/c1-14-20-7-6-17(21-14)16-3-2-8-22(13-16)12-15-4-5-18-19(11-15)24-10-9-23-18/h4-7,11,16H,2-3,8-10,12-13H2,1H3
InChIKeyMTTGXBARHUWZJF-UHFFFAOYSA-N
XLogP2.94
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 110104068
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
CID 110114983
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine?
The IUPAC name of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine (CID 110114973) is 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine is Cc1nccc(C2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine?
The InChIKey is MTTGXBARHUWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-20-7-6-17(21-14)16-3-2-8-22(13-16)12-15-4-5-18-19(11-15)24-10-9-23-18/h4-7,11,16H,2-3,8-10,12-13H2,1H3.
What are the key properties of 4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine?
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine has a molecular weight of 325.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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]-2-methylpyrimidine is sourced from PubChem (CID 110114973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).