1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride

C12H18Cl2N2O2 — CID 50988439

IUPAC1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-1-2-8-14(11)9-10-4-6-13-7-5-10;;/h4-7,11H,1-3,8-9H2,(H,15,16);2*1H
InChIKeyWEDRTLCTPMCZPA-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.36
Rot. Bonds3

About 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride

1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride (PubChem CID 50988439) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride
PubChem CID50988439
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-1-2-8-14(11)9-10-4-6-13-7-5-10;;/h4-7,11H,1-3,8-9H2,(H,15,16);2*1H
InChIKeyWEDRTLCTPMCZPA-UHFFFAOYSA-N
XLogP2.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride (CID 50988439) is 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1CCCCN1Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride?
The InChIKey is WEDRTLCTPMCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-1-2-8-14(11)9-10-4-6-13-7-5-10;;/h4-7,11H,1-3,8-9H2,(H,15,16);2*1H.
What are the key properties of 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride?
1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride has a molecular weight of 293.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 50988439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).