piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride

C11H16Cl2N2O — CID 73012650

IUPACpiperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1)C1CCCNC1
InChIInChI=1S/C11H14N2O.2ClH/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;;/h1,3,5,7,10,13H,2,4,6,8H2;2*1H
InChIKeyJLMGPDAQJNHIAN-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.11
Rot. Bonds2

About piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride

piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride (PubChem CID 73012650) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
PubChem CID73012650
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Namepiperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1)C1CCCNC1
InChIInChI=1S/C11H14N2O.2ClH/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;;/h1,3,5,7,10,13H,2,4,6,8H2;2*1H
InChIKeyJLMGPDAQJNHIAN-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
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pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
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CID 119842424
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
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(3-ethoxyphenyl)-piperidin-3-ylmethanone
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CID 86327261

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride?
The IUPAC name of piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride (CID 73012650) is piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride?
The canonical SMILES for piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1cccnc1)C1CCCNC1.
What is the InChIKey of piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride?
The InChIKey is JLMGPDAQJNHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.2ClH/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10;;/h1,3,5,7,10,13H,2,4,6,8H2;2*1H.
What are the key properties of piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride?
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride has a molecular weight of 263.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 73012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).