1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

C19H25BrN2O2 — CID 73349663

IUPAC1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C19H25BrN2O2/c1-22-8-6-17(7-9-22)21-12-18(23)13-24-19-5-3-14-10-16(20)4-2-15(14)11-19/h2-5,10-11,17-18,21,23H,6-9,12-13H2,1H3
InChIKeyJIRODWLZHQDZBM-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.03
Rot. Bonds6

About 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol

1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 73349663) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID73349663
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COc2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C19H25BrN2O2/c1-22-8-6-17(7-9-22)21-12-18(23)13-24-19-5-3-14-10-16(20)4-2-15(14)11-19/h2-5,10-11,17-18,21,23H,6-9,12-13H2,1H3
InChIKeyJIRODWLZHQDZBM-UHFFFAOYSA-N
XLogP3.03
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 73349663) is 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is CN1CCC(NCC(O)COc2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is JIRODWLZHQDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c1-22-8-6-17(7-9-22)21-12-18(23)13-24-19-5-3-14-10-16(20)4-2-15(14)11-19/h2-5,10-11,17-18,21,23H,6-9,12-13H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 393.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 73349663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).