2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol

C16H18BrNO2 — CID 175472102

IUPAC2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol
SMILESCOc1ccc2c(Br)ccc(C3CC(O)CCN3)c2c1
InChIInChI=1S/C16H18BrNO2/c1-20-11-2-3-12-14(9-11)13(4-5-15(12)17)16-8-10(19)6-7-18-16/h2-5,9-10,16,18-19H,6-8H2,1H3
InChIKeyRJBFPEPZPIJSMO-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.40
Rot. Bonds2

About 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol

2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol (PubChem CID 175472102) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol
PubChem CID175472102
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol
SMILESCOc1ccc2c(Br)ccc(C3CC(O)CCN3)c2c1
InChIInChI=1S/C16H18BrNO2/c1-20-11-2-3-12-14(9-11)13(4-5-15(12)17)16-8-10(19)6-7-18-16/h2-5,9-10,16,18-19H,6-8H2,1H3
InChIKeyRJBFPEPZPIJSMO-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol?
The IUPAC name of 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol (CID 175472102) is 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol.
What is the SMILES notation for 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol?
The canonical SMILES for 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol is COc1ccc2c(Br)ccc(C3CC(O)CCN3)c2c1.
What is the InChIKey of 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol?
The InChIKey is RJBFPEPZPIJSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-11-2-3-12-14(9-11)13(4-5-15(12)17)16-8-10(19)6-7-18-16/h2-5,9-10,16,18-19H,6-8H2,1H3.
What are the key properties of 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol?
2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol has a molecular weight of 336.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-7-methoxynaphthalen-1-yl)piperidin-4-ol is sourced from PubChem (CID 175472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).