2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid

C17H19NO3 — CID 170886811

IUPAC2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1c(OC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-17(20)11-15-14-4-2-1-3-12(14)5-6-16(15)21-13-7-9-18-10-8-13/h1-6,13,18H,7-11H2,(H,19,20)
InChIKeyMORBAVCFJJCHGH-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid

2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid (PubChem CID 170886811) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
PubChem CID170886811
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
SMILESO=C(O)Cc1c(OC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C17H19NO3/c19-17(20)11-15-14-4-2-1-3-12(14)5-6-16(15)21-13-7-9-18-10-8-13/h1-6,13,18H,7-11H2,(H,19,20)
InChIKeyMORBAVCFJJCHGH-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid (CID 170886811) is 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid is O=C(O)Cc1c(OC2CCNCC2)ccc2ccccc12.
What is the InChIKey of 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid?
The InChIKey is MORBAVCFJJCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)11-15-14-4-2-1-3-12(14)5-6-16(15)21-13-7-9-18-10-8-13/h1-6,13,18H,7-11H2,(H,19,20).
What are the key properties of 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid?
2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid is sourced from PubChem (CID 170886811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).