2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid

C14H28N2O2 — CID 119134803

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
SMILESCCCCN(C)CC1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-5-8-15(3)11-13-6-9-16(10-7-13)12(2)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyDIIWBNZFEFONOG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds7

About 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid (PubChem CID 119134803) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
PubChem CID119134803
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
SMILESCCCCN(C)CC1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-5-8-15(3)11-13-6-9-16(10-7-13)12(2)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyDIIWBNZFEFONOG-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-methoxyethanone
CID 61244693
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
(2R)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129354223
(2S)-2-[4-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129354224
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60505380
(2R)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 104907905
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(3-methylpyrrolidin-2-yl)methanone
CID 102778861

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid (CID 119134803) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid is CCCCN(C)CC1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid?
The InChIKey is DIIWBNZFEFONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-8-15(3)11-13-6-9-16(10-7-13)12(2)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119134803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).