2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid

C17H19NO3 — CID 170886812

IUPAC2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2cc(OC3CCNCC3)ccc2c1
InChIInChI=1S/C17H19NO3/c19-17(20)10-12-1-2-14-11-16(4-3-13(14)9-12)21-15-5-7-18-8-6-15/h1-4,9,11,15,18H,5-8,10H2,(H,19,20)
InChIKeyLBVPROVXOTWPOG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.60
Rot. Bonds4

About 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid

2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid (PubChem CID 170886812) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
PubChem CID170886812
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2cc(OC3CCNCC3)ccc2c1
InChIInChI=1S/C17H19NO3/c19-17(20)10-12-1-2-14-11-16(4-3-13(14)9-12)21-15-5-7-18-8-6-15/h1-4,9,11,15,18H,5-8,10H2,(H,19,20)
InChIKeyLBVPROVXOTWPOG-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-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid (CID 170886812) is 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid is O=C(O)Cc1ccc2cc(OC3CCNCC3)ccc2c1.
What is the InChIKey of 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid?
The InChIKey is LBVPROVXOTWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)10-12-1-2-14-11-16(4-3-13(14)9-12)21-15-5-7-18-8-6-15/h1-4,9,11,15,18H,5-8,10H2,(H,19,20).
What are the key properties of 2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid?
2-(6-piperidin-4-yloxynaphthalen-2-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-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 170886812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).