1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride

C9H15Cl3N4 — CID 87364339

IUPAC1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4.2ClH/c10-9-12-4-1-8(13-9)14-5-2-7(11)3-6-14;;/h1,4,7H,2-3,5-6,11H2;2*1H
InChIKeyHJPHHJNKPWAZDG-UHFFFAOYSA-N
MW285.61 g/mol
LogP1.90
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride

1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride (PubChem CID 87364339) has the molecular formula C9H15Cl3N4 and a molecular weight of 285.61 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride
PubChem CID87364339
Molecular FormulaC9H15Cl3N4
Molecular Weight285.61 g/mol
Exact Mass284.04
IUPAC Name1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4.2ClH/c10-9-12-4-1-8(13-9)14-5-2-7(11)3-6-14;;/h1,4,7H,2-3,5-6,11H2;2*1H
InChIKeyHJPHHJNKPWAZDG-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride (CID 87364339) is 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is HJPHHJNKPWAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4.2ClH/c10-9-12-4-1-8(13-9)14-5-2-7(11)3-6-14;;/h1,4,7H,2-3,5-6,11H2;2*1H.
What are the key properties of 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride?
1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 285.61 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 87364339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).