1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride

C26H33ClN4O4 — CID 44536175

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride
SMILESCOc1ccc2nccc(N(C)CC3(O)CCN(CCc4ccc5c(c4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C26H32N4O4.ClH/c1-29(21-7-11-27-20-4-6-24(32-2)28-25(20)21)18-26(31)9-13-30(14-10-26)12-8-19-3-5-22-23(17-19)34-16-15-33-22;/h3-7,11,17,31H,8-10,12-16,18H2,1-2H3;1H
InChIKeyJVHCDCFQGYRDRI-UHFFFAOYSA-N
MW501.03 g/mol
LogP3.34
Rot. Bonds7

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride (PubChem CID 44536175) has the molecular formula C26H33ClN4O4 and a molecular weight of 501.03 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride
PubChem CID44536175
Molecular FormulaC26H33ClN4O4
Molecular Weight501.03 g/mol
Exact Mass500.22
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride
SMILESCOc1ccc2nccc(N(C)CC3(O)CCN(CCc4ccc5c(c4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C26H32N4O4.ClH/c1-29(21-7-11-27-20-4-6-24(32-2)28-25(20)21)18-26(31)9-13-30(14-10-26)12-8-19-3-5-22-23(17-19)34-16-15-33-22;/h3-7,11,17,31H,8-10,12-16,18H2,1-2H3;1H
InChIKeyJVHCDCFQGYRDRI-UHFFFAOYSA-N
XLogP3.34
TPSA80.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride (CID 44536175) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride is COc1ccc2nccc(N(C)CC3(O)CCN(CCc4ccc5c(c4)OCCO5)CC3)c2n1.Cl.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride?
The InChIKey is JVHCDCFQGYRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4.ClH/c1-29(21-7-11-27-20-4-6-24(32-2)28-25(20)21)18-26(31)9-13-30(14-10-26)12-8-19-3-5-22-23(17-19)34-16-15-33-22;/h3-7,11,17,31H,8-10,12-16,18H2,1-2H3;1H.
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride has a molecular weight of 501.03 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 44536175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).