4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 117025480

IUPAC4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCC1(C)CCN(Cc2ccncc2)CC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-14(2)5-8-16(10-12(14)13(17)18)9-11-3-6-15-7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyUHOHFZHPLQUOOS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds3

About 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 117025480) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
PubChem CID117025480
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCC1(C)CCN(Cc2ccncc2)CC1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-14(2)5-8-16(10-12(14)13(17)18)9-11-3-6-15-7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,17,18)
InChIKeyUHOHFZHPLQUOOS-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S,5S)-1-(pyridin-4-ylmethyl)-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 56876327
4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 174639549
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (CID 117025480) is 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is CC1(C)CCN(Cc2ccncc2)CC1C(=O)O.
What is the InChIKey of 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is UHOHFZHPLQUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)5-8-16(10-12(14)13(17)18)9-11-3-6-15-7-4-11/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117025480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).