1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid

C20H27NO3 — CID 143873908

IUPAC1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
SMILESCOc1cccc2ccccc12.O=C(O)CCCC1CCCCN1
InChIInChI=1S/C11H10O.C9H17NO2/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;11-9(12)6-3-5-8-4-1-2-7-10-8/h2-8H,1H3;8,10H,1-7H2,(H,11,12)
InChIKeyJSPMUXLIBZRJGO-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.23
Rot. Bonds5

About 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid

1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid (PubChem CID 143873908) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid.

Molecular Properties

Compound Name1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
PubChem CID143873908
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
SMILESCOc1cccc2ccccc12.O=C(O)CCCC1CCCCN1
InChIInChI=1S/C11H10O.C9H17NO2/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;11-9(12)6-3-5-8-4-1-2-7-10-8/h2-8H,1H3;8,10H,1-7H2,(H,11,12)
InChIKeyJSPMUXLIBZRJGO-UHFFFAOYSA-N
XLogP4.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
2-methoxy-N-methyl-N-(3-piperidin-2-ylpropyl)aniline
CID 62213433
2-benzylpiperidine;pentanoic acid
CID 174412963
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
3-(azepan-2-yl)propanoic acid
CID 69475849
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902

Frequently Asked Questions

What is the IUPAC name of 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid?
The IUPAC name of 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid (CID 143873908) is 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid.
What is the SMILES notation for 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid?
The canonical SMILES for 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid is COc1cccc2ccccc12.O=C(O)CCCC1CCCCN1.
What is the InChIKey of 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid?
The InChIKey is JSPMUXLIBZRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C9H17NO2/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;11-9(12)6-3-5-8-4-1-2-7-10-8/h2-8H,1H3;8,10H,1-7H2,(H,11,12).
What are the key properties of 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid?
1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid has a molecular weight of 329.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid is sourced from PubChem (CID 143873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).