2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid

C15H27NO2 — CID 90470018

IUPAC2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid
SMILESCC(CC1CCC(N2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-12(15(17)18)11-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyDYBGTSKDFRMGSS-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid

2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid (PubChem CID 90470018) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid
PubChem CID90470018
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid
SMILESCC(CC1CCC(N2CCCCC2)CC1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-12(15(17)18)11-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyDYBGTSKDFRMGSS-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid (CID 90470018) is 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid is CC(CC1CCC(N2CCCCC2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid?
The InChIKey is DYBGTSKDFRMGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(15(17)18)11-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid?
2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-piperidin-1-ylcyclohexyl)propanoic acid is sourced from PubChem (CID 90470018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).