2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid

C15H22N2O2 — CID 117025535

IUPAC2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
SMILESCC1(C)CCN(Cc2ccccn2)CC1CC(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(2)6-8-17(10-12(15)9-14(18)19)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11H2,1-2H3,(H,18,19)
InChIKeyYLSPZNFLLMVJGT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds4

About 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid

2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid (PubChem CID 117025535) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
PubChem CID117025535
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
SMILESCC1(C)CCN(Cc2ccccn2)CC1CC(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(2)6-8-17(10-12(15)9-14(18)19)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11H2,1-2H3,(H,18,19)
InChIKeyYLSPZNFLLMVJGT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
CID 126771656
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetamide
CID 97451304
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid (CID 117025535) is 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid is CC1(C)CCN(Cc2ccccn2)CC1CC(=O)O.
What is the InChIKey of 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid?
The InChIKey is YLSPZNFLLMVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)6-8-17(10-12(15)9-14(18)19)11-13-5-3-4-7-16-13/h3-5,7,12H,6,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid?
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid has a molecular weight of 262.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 117025535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).