2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid

C14H25NO2 — CID 64527605

IUPAC2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCC1CCCCC1(CC(=O)O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12-7-3-4-8-14(12,11-13(16)17)15-9-5-2-6-10-15/h12H,2-11H2,1H3,(H,16,17)
InChIKeyIUXOLZIQZXRMJO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid

2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid (PubChem CID 64527605) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
PubChem CID64527605
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCC1CCCCC1(CC(=O)O)N1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12-7-3-4-8-14(12,11-13(16)17)15-9-5-2-6-10-15/h12H,2-11H2,1H3,(H,16,17)
InChIKeyIUXOLZIQZXRMJO-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid (CID 64527605) is 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid is CC1CCCCC1(CC(=O)O)N1CCCCC1.
What is the InChIKey of 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The InChIKey is IUXOLZIQZXRMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-7-3-4-8-14(12,11-13(16)17)15-9-5-2-6-10-15/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid?
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid is sourced from PubChem (CID 64527605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).