spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid

C14H23NO2 — CID 141032802

IUPACspiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
SMILESO=C(O)C12CCCCC1CC1(CCNCC1)C2
InChIInChI=1S/C14H23NO2/c16-12(17)14-4-2-1-3-11(14)9-13(10-14)5-7-15-8-6-13/h11,15H,1-10H2,(H,16,17)
InChIKeyZWPBCVLUOSMPJX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.41
Rot. Bonds1

About spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid

spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid (PubChem CID 141032802) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid.

Molecular Properties

Compound Namespiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
PubChem CID141032802
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namespiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
SMILESO=C(O)C12CCCCC1CC1(CCNCC1)C2
InChIInChI=1S/C14H23NO2/c16-12(17)14-4-2-1-3-11(14)9-13(10-14)5-7-15-8-6-13/h11,15H,1-10H2,(H,16,17)
InChIKeyZWPBCVLUOSMPJX-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115027968
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid?
The IUPAC name of spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid (CID 141032802) is spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid.
What is the SMILES notation for spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid?
The canonical SMILES for spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid is O=C(O)C12CCCCC1CC1(CCNCC1)C2.
What is the InChIKey of spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid?
The InChIKey is ZWPBCVLUOSMPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-12(17)14-4-2-1-3-11(14)9-13(10-14)5-7-15-8-6-13/h11,15H,1-10H2,(H,16,17).
What are the key properties of spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid?
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid is sourced from PubChem (CID 141032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).