2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid

C18H21NO3 — CID 170886806

IUPAC2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1c(OCC2CCCNC2)ccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-18(21)10-16-15-6-2-1-5-14(15)7-8-17(16)22-12-13-4-3-9-19-11-13/h1-2,5-8,13,19H,3-4,9-12H2,(H,20,21)
InChIKeyKZJXLMXHQQQNRF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid

2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid (PubChem CID 170886806) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
PubChem CID170886806
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1c(OCC2CCCNC2)ccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-18(21)10-16-15-6-2-1-5-14(15)7-8-17(16)22-12-13-4-3-9-19-11-13/h1-2,5-8,13,19H,3-4,9-12H2,(H,20,21)
InChIKeyKZJXLMXHQQQNRF-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840
2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
CID 170886811
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
piperidin-3-ylmethyl benzoate
CID 53409803
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid?
The IUPAC name of 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid (CID 170886806) is 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid is O=C(O)Cc1c(OCC2CCCNC2)ccc2ccccc12.
What is the InChIKey of 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid?
The InChIKey is KZJXLMXHQQQNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-18(21)10-16-15-6-2-1-5-14(15)7-8-17(16)22-12-13-4-3-9-19-11-13/h1-2,5-8,13,19H,3-4,9-12H2,(H,20,21).
What are the key properties of 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid?
2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid is sourced from PubChem (CID 170886806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).