2-(1,2-dimethylpiperidin-4-yl)acetic acid

C9H17NO2 — CID 57247526

IUPAC2-(1,2-dimethylpiperidin-4-yl)acetic acid
SMILESCC1CC(CC(=O)O)CCN1C
InChIInChI=1S/C9H17NO2/c1-7-5-8(6-9(11)12)3-4-10(7)2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyVECLAOAOLRQDDS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About 2-(1,2-dimethylpiperidin-4-yl)acetic acid

2-(1,2-dimethylpiperidin-4-yl)acetic acid (PubChem CID 57247526) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1,2-dimethylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-dimethylpiperidin-4-yl)acetic acid
PubChem CID57247526
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1,2-dimethylpiperidin-4-yl)acetic acid
SMILESCC1CC(CC(=O)O)CCN1C
InChIInChI=1S/C9H17NO2/c1-7-5-8(6-9(11)12)3-4-10(7)2/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyVECLAOAOLRQDDS-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 2-(1,2-dimethylpiperidin-4-yl)acetate
CID 161456905
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
CID 70066827
2-(1,2-dimethylpiperidin-4-yl)acetonitrile
CID 83845549
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606181
N-[(1,2-dimethylpiperidin-4-yl)methyl]cyclopropanamine
CID 83906698
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1,2-dimethylpiperidin-4-yl)acetic acid (CID 57247526) is 2-(1,2-dimethylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1,2-dimethylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1,2-dimethylpiperidin-4-yl)acetic acid is CC1CC(CC(=O)O)CCN1C.
What is the InChIKey of 2-(1,2-dimethylpiperidin-4-yl)acetic acid?
The InChIKey is VECLAOAOLRQDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-8(6-9(11)12)3-4-10(7)2/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,2-dimethylpiperidin-4-yl)acetic acid?
2-(1,2-dimethylpiperidin-4-yl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 57247526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).