2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid

C14H28N2O2 — CID 117024633

IUPAC2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
SMILESCN(C)CCCN1CCC(CC(=O)O)C(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2)11-16(8-5-7-15(3)4)9-6-12(14)10-13(17)18/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeySKWBZMVFUMDXBN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.76
Rot. Bonds6

About 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid

2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid (PubChem CID 117024633) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
PubChem CID117024633
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
SMILESCN(C)CCCN1CCC(CC(=O)O)C(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2)11-16(8-5-7-15(3)4)9-6-12(14)10-13(17)18/h12H,5-11H2,1-4H3,(H,17,18)
InChIKeySKWBZMVFUMDXBN-UHFFFAOYSA-N
XLogP1.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid (CID 117024633) is 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid is CN(C)CCCN1CCC(CC(=O)O)C(C)(C)C1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid?
The InChIKey is SKWBZMVFUMDXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2)11-16(8-5-7-15(3)4)9-6-12(14)10-13(17)18/h12H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid?
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid has a molecular weight of 256.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 117024633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).