2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid

C14H25NO2 — CID 79606528

IUPAC2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
SMILESCC1CCCCC1N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-2-3-5-13(11)15-8-6-12(7-9-15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyFWYBLNBJEKNYIW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid

2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid (PubChem CID 79606528) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
PubChem CID79606528
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
SMILESCC1CCCCC1N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-2-3-5-13(11)15-8-6-12(7-9-15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyFWYBLNBJEKNYIW-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
azane;2-cyclohexylacetic acid;iron
CID 67746719
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
1-(2-methylcyclopentyl)piperidin-4-amine
CID 63281910
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
N-methyl-1-(2-methylcyclohexyl)piperidin-4-amine
CID 43315447
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937
methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
CID 75434367
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid (CID 79606528) is 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid is CC1CCCCC1N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid?
The InChIKey is FWYBLNBJEKNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-2-3-5-13(11)15-8-6-12(7-9-15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid?
2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).