4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride

C11H22Cl2N2O2 — CID 139022352

IUPAC4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CC(C2CCCNC2)CCN1
InChIInChI=1S/C11H20N2O2.2ClH/c14-11(15)10-6-8(3-5-13-10)9-2-1-4-12-7-9;;/h8-10,12-13H,1-7H2,(H,14,15);2*1H
InChIKeyMVKMNCNLSVBEDS-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.28
Rot. Bonds2

About 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride

4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride (PubChem CID 139022352) has the molecular formula C11H22Cl2N2O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride
PubChem CID139022352
Molecular FormulaC11H22Cl2N2O2
Molecular Weight285.22 g/mol
Exact Mass284.11
IUPAC Name4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CC(C2CCCNC2)CCN1
InChIInChI=1S/C11H20N2O2.2ClH/c14-11(15)10-6-8(3-5-13-10)9-2-1-4-12-7-9;;/h8-10,12-13H,1-7H2,(H,14,15);2*1H
InChIKeyMVKMNCNLSVBEDS-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride (CID 139022352) is 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1CC(C2CCCNC2)CCN1.
What is the InChIKey of 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride?
The InChIKey is MVKMNCNLSVBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.2ClH/c14-11(15)10-6-8(3-5-13-10)9-2-1-4-12-7-9;;/h8-10,12-13H,1-7H2,(H,14,15);2*1H.
What are the key properties of 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride?
4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride has a molecular weight of 285.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylpiperidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 139022352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).