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

C12H24Cl2N2O2 — CID 45075036

IUPAC1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride
SMILESCN1CCC(N2CCC(C(=O)O)CC2)CC1.Cl.Cl
InChIInChI=1S/C12H22N2O2.2ClH/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);2*1H
InChIKeyBOGCJQTVEZINCB-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.72
Rot. Bonds2

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

1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride (PubChem CID 45075036) has the molecular formula C12H24Cl2N2O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride
PubChem CID45075036
Molecular FormulaC12H24Cl2N2O2
Molecular Weight299.24 g/mol
Exact Mass298.12
IUPAC Name1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride
SMILESCN1CCC(N2CCC(C(=O)O)CC2)CC1.Cl.Cl
InChIInChI=1S/C12H22N2O2.2ClH/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);2*1H
InChIKeyBOGCJQTVEZINCB-UHFFFAOYSA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.72
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;dihydrochloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride (CID 45075036) is 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride is CN1CCC(N2CCC(C(=O)O)CC2)CC1.Cl.Cl.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride?
The InChIKey is BOGCJQTVEZINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.2ClH/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);2*1H.
What are the key properties of 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride?
1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid;dihydrochloride has a molecular weight of 299.24 g/mol, XLogP of 1.72, 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;dihydrochloride is sourced from PubChem (CID 45075036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).