2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid

C15H22N2O2 — CID 67386533

IUPAC2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
SMILESCN(C)C1(c2ccccn2)CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(13-5-3-4-10-16-13)8-6-12(7-9-15)11-14(18)19/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyHFNGUYMLYDVASX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid

2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid (PubChem CID 67386533) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
PubChem CID67386533
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
SMILESCN(C)C1(c2ccccn2)CCC(CC(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-17(2)15(13-5-3-4-10-16-13)8-6-12(7-9-15)11-14(18)19/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19)
InChIKeyHFNGUYMLYDVASX-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid (CID 67386533) is 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid is CN(C)C1(c2ccccn2)CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid?
The InChIKey is HFNGUYMLYDVASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(2)15(13-5-3-4-10-16-13)8-6-12(7-9-15)11-14(18)19/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid?
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid is sourced from PubChem (CID 67386533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).