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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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).