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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Related Compounds

2-(2-hydroxy-4-piperidin-4-yloxyphenyl)acetic acid
CID 84618104
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
2-(4-piperidin-4-yloxyphenyl)acetaldehyde
CID 90039130
2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
CID 170886811
4-benzyl-6-piperidin-4-yloxyisoquinoline;hydrochloride
CID 162318656
2-methyl-6-piperidin-4-yloxyquinoline
CID 123255075
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
2-(3-fluoro-4-piperidin-3-yloxyphenyl)acetic acid
CID 170886796
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
1-(6-piperidin-4-yloxyisoquinolin-3-yl)-4-pyrrolidin-1-ylbutan-2-one
CID 58459027

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).