3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid

C18H25NO3 — CID 84755666

IUPAC3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(Oc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C18H25NO3/c20-18(21)9-11-19-10-3-6-17(13-19)22-16-8-7-14-4-1-2-5-15(14)12-16/h7-8,12,17H,1-6,9-11,13H2,(H,20,21)
InChIKeyOGSAWVZNODQNKC-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.88
Rot. Bonds5

About 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid

3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid (PubChem CID 84755666) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
PubChem CID84755666
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(Oc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C18H25NO3/c20-18(21)9-11-19-10-3-6-17(13-19)22-16-8-7-14-4-1-2-5-15(14)12-16/h7-8,12,17H,1-6,9-11,13H2,(H,20,21)
InChIKeyOGSAWVZNODQNKC-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
3-[3-(3,4-difluorophenoxy)piperidin-1-yl]propanoic acid
CID 84755669
3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755659
3-[3-(4-methyl-3-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755672
3-[3-(2,6-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755674
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
CID 84755647
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
3-[3-(2-fluoro-4-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755657
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
CID 22363113

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid (CID 84755666) is 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC(Oc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid?
The InChIKey is OGSAWVZNODQNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(21)9-11-19-10-3-6-17(13-19)22-16-8-7-14-4-1-2-5-15(14)12-16/h7-8,12,17H,1-6,9-11,13H2,(H,20,21).
What are the key properties of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid?
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).