1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid

C10H20N2O2 — CID 6484124

IUPAC1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)7-8-12-5-3-9(4-6-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyYKTSYYVNSMTHNA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.34
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid

1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid (PubChem CID 6484124) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
PubChem CID6484124
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)7-8-12-5-3-9(4-6-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyYKTSYYVNSMTHNA-UHFFFAOYSA-N
XLogP0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 171445163
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 117004168
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid (CID 6484124) is 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid is CN(C)CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is YKTSYYVNSMTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)7-8-12-5-3-9(4-6-12)10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid?
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 6484124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).