2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid

C15H27NO3 — CID 63075439

IUPAC2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-2-10-19-12-6-5-9-16(11-12)14-8-4-3-7-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeySCTSWTHFPNLMFI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid

2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 63075439) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID63075439
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-2-10-19-12-6-5-9-16(11-12)14-8-4-3-7-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeySCTSWTHFPNLMFI-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 63075439) is 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid is CCCOC1CCCN(C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SCTSWTHFPNLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-10-19-12-6-5-9-16(11-12)14-8-4-3-7-13(14)15(17)18/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid?
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63075439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).