2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid

C15H27NO2 — CID 64526836

IUPAC2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCCC1CCCC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-2-13-7-6-8-15(11-13,12-14(17)18)16-9-4-3-5-10-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyBPAWMBIYMADUBN-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid

2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid (PubChem CID 64526836) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
PubChem CID64526836
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCCC1CCCC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C15H27NO2/c1-2-13-7-6-8-15(11-13,12-14(17)18)16-9-4-3-5-10-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyBPAWMBIYMADUBN-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid (CID 64526836) is 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid is CCC1CCCC(CC(=O)O)(N2CCCCC2)C1.
What is the InChIKey of 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The InChIKey is BPAWMBIYMADUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-13-7-6-8-15(11-13,12-14(17)18)16-9-4-3-5-10-16/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid is sourced from PubChem (CID 64526836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).