4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid

C13H25NO2 — CID 107474872

IUPAC4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
SMILESCC(C)(C)CC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-11(12(15)16)10-14-7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyNYPALCFLTSICDH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds4

About 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid

4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid (PubChem CID 107474872) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
PubChem CID107474872
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
SMILESCC(C)(C)CC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-13(2,3)9-11(12(15)16)10-14-7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyNYPALCFLTSICDH-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
CID 117242052
2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
2-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-4,4-dimethylpentanoic acid
CID 107472871
2-ethoxy-3-piperidin-1-ylpropanoic acid
CID 63068223
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 22467106
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid (CID 107474872) is 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid is CC(C)(C)CC(CN1CCCCC1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid?
The InChIKey is NYPALCFLTSICDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)9-11(12(15)16)10-14-7-5-4-6-8-14/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid?
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid is sourced from PubChem (CID 107474872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).