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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Related Compounds

4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid
CID 19259
4-(Piperidin-4-yl)benzoic acid
CID 18002462
4-(Piperidin-4-YL)benzoic acid hydrochloride
CID 19381764
1,2,3,4-Tetrahydroisoquinoline-6-Carboxylic Acid
CID 21888155
Benzoic acid, 2-(3-piperidinyl)-
CID 16203331
4-Phenylpiperidine-4-carboxylic acid hydrochloride
CID 42614249
4-(Piperidin-3-yl)benzoic acid
CID 44890858
3-(Piperidin-4-yl)benzoic acid hydrochloride
CID 67551851
Einecs 226-120-5
CID 6452737
4-(4-Methylphenyl)piperidine-4-carboxylic acid hydrochloride
CID 91647611
4-(3-Methylphenyl)piperidine-4-carboxylic acid hydrochloride
CID 91654476
4-(Piperidin-3-yl)benzoic acid hydrochloride
CID 92134870

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).