4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid

C10H20N2O3 — CID 141406585

IUPAC4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid
SMILESCOC1(CN(C)C)CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-11(2)8-10(15-3)4-6-12(7-5-10)9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyIEKJHHSZANFATK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.71
Rot. Bonds3

About 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid

4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid (PubChem CID 141406585) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid
PubChem CID141406585
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid
SMILESCOC1(CN(C)C)CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c1-11(2)8-10(15-3)4-6-12(7-5-10)9(13)14/h4-8H2,1-3H3,(H,13,14)
InChIKeyIEKJHHSZANFATK-UHFFFAOYSA-N
XLogP0.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 162633633
1-(1-methoxycyclobutyl)-N,N-dimethylmethanamine
CID 178173198
5-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 163305029
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 164691194
5-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 163318137
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 163318056
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-(2-chloroethyl)-4-methoxycarbonylpiperidine-1-carboxylic acid
CID 69179288
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid (CID 141406585) is 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid is COC1(CN(C)C)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid?
The InChIKey is IEKJHHSZANFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11(2)8-10(15-3)4-6-12(7-5-10)9(13)14/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid?
4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141406585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).