2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid

C18H25NO3 — CID 166282924

IUPAC2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)C(O)C1CCN(Cc2cccc3c2CCCC3)CC1
InChIInChI=1S/C18H25NO3/c20-17(18(21)22)14-8-10-19(11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h3,5-6,14,17,20H,1-2,4,7-12H2,(H,21,22)
InChIKeyLOWMOWIBUJCMJY-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.22
Rot. Bonds4

About 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid

2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid (PubChem CID 166282924) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid
PubChem CID166282924
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)C(O)C1CCN(Cc2cccc3c2CCCC3)CC1
InChIInChI=1S/C18H25NO3/c20-17(18(21)22)14-8-10-19(11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h3,5-6,14,17,20H,1-2,4,7-12H2,(H,21,22)
InChIKeyLOWMOWIBUJCMJY-UHFFFAOYSA-N
XLogP2.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid (CID 166282924) is 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid is O=C(O)C(O)C1CCN(Cc2cccc3c2CCCC3)CC1.
What is the InChIKey of 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid?
The InChIKey is LOWMOWIBUJCMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(18(21)22)14-8-10-19(11-9-14)12-15-6-3-5-13-4-1-2-7-16(13)15/h3,5-6,14,17,20H,1-2,4,7-12H2,(H,21,22).
What are the key properties of 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid?
2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[1-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 166282924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).