1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

C12H22N2O2 — CID 2761156

IUPAC1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyMVVCBMNRXWHOBD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 2761156) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
PubChem CID2761156
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
SMILESCN1CCC(N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyMVVCBMNRXWHOBD-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid (CID 2761156) is 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is CN1CCC(N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is MVVCBMNRXWHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid?
1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 2761156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).