3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid

C18H25NO2 — CID 65059978

IUPAC3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)8-5-14-9-11-19(12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-4,14,17H,5-13H2,(H,20,21)
InChIKeyQDHFRVQFILMPQP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.12
Rot. Bonds4

About 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid

3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid (PubChem CID 65059978) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
PubChem CID65059978
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)8-5-14-9-11-19(12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-4,14,17H,5-13H2,(H,20,21)
InChIKeyQDHFRVQFILMPQP-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid (CID 65059978) is 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid?
The InChIKey is QDHFRVQFILMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(21)8-5-14-9-11-19(12-10-14)17-7-6-15-3-1-2-4-16(15)13-17/h1-4,14,17H,5-13H2,(H,20,21).
What are the key properties of 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid?
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65059978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).