4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine

C22H28N2O2 — CID 138696282

IUPAC4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc2c(c1)C(CN1CCC(OCc3ccncc3)CC1)CC2
InChIInChI=1S/C22H28N2O2/c1-25-21-5-4-18-2-3-19(22(18)14-21)15-24-12-8-20(9-13-24)26-16-17-6-10-23-11-7-17/h4-7,10-11,14,19-20H,2-3,8-9,12-13,15-16H2,1H3
InChIKeyRSKMIWITZJBSHH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.80
Rot. Bonds6

About 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine

4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 138696282) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID138696282
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESCOc1ccc2c(c1)C(CN1CCC(OCc3ccncc3)CC1)CC2
InChIInChI=1S/C22H28N2O2/c1-25-21-5-4-18-2-3-19(22(18)14-21)15-24-12-8-20(9-13-24)26-16-17-6-10-23-11-7-17/h4-7,10-11,14,19-20H,2-3,8-9,12-13,15-16H2,1H3
InChIKeyRSKMIWITZJBSHH-UHFFFAOYSA-N
XLogP3.80
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine (CID 138696282) is 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine is COc1ccc2c(c1)C(CN1CCC(OCc3ccncc3)CC1)CC2.
What is the InChIKey of 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is RSKMIWITZJBSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-25-21-5-4-18-2-3-19(22(18)14-21)15-24-12-8-20(9-13-24)26-16-17-6-10-23-11-7-17/h4-7,10-11,14,19-20H,2-3,8-9,12-13,15-16H2,1H3.
What are the key properties of 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine?
4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 352.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 138696282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).