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

C15H27NO2 — CID 79605630

IUPAC2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
SMILESCC1CCC(N2CCC(CC(=O)O)CC2)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-3-4-14(12(2)9-11)16-7-5-13(6-8-16)10-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyNBOLQLVFRJQNJF-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds3

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

2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid (PubChem CID 79605630) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
PubChem CID79605630
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
SMILESCC1CCC(N2CCC(CC(=O)O)CC2)C(C)C1
InChIInChI=1S/C15H27NO2/c1-11-3-4-14(12(2)9-11)16-7-5-13(6-8-16)10-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyNBOLQLVFRJQNJF-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
CID 79606528
3-[4-(2,4-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65055765
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
CID 66435669
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid (CID 79605630) is 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid is CC1CCC(N2CCC(CC(=O)O)CC2)C(C)C1.
What is the InChIKey of 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid?
The InChIKey is NBOLQLVFRJQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-3-4-14(12(2)9-11)16-7-5-13(6-8-16)10-15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid?
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).