spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid

C15H17NO2 — CID 59600606

IUPACspiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
SMILESO=C(O)C1=CCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C15H17NO2/c17-14(18)12-5-6-15(7-9-16-10-8-15)13-4-2-1-3-11(12)13/h1-5,16H,6-10H2,(H,17,18)
InChIKeyZDOUUOXGVIRRED-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds1

About spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid

spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid (PubChem CID 59600606) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid.

Molecular Properties

Compound Namespiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
PubChem CID59600606
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namespiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
SMILESO=C(O)C1=CCC2(CCNCC2)c2ccccc21
InChIInChI=1S/C15H17NO2/c17-14(18)12-5-6-15(7-9-16-10-8-15)13-4-2-1-3-11(12)13/h1-5,16H,6-10H2,(H,17,18)
InChIKeyZDOUUOXGVIRRED-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid?
The IUPAC name of spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid (CID 59600606) is spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid.
What is the SMILES notation for spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid?
The canonical SMILES for spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid is O=C(O)C1=CCC2(CCNCC2)c2ccccc21.
What is the InChIKey of spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid?
The InChIKey is ZDOUUOXGVIRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14(18)12-5-6-15(7-9-16-10-8-15)13-4-2-1-3-11(12)13/h1-5,16H,6-10H2,(H,17,18).
What are the key properties of spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid?
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid is sourced from PubChem (CID 59600606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).