N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride

C13H24Cl2N4 — CID 67087405

IUPACN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride
SMILESCC(C)CNc1cc(N2CCNCC2)ccn1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17;;/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16);2*1H
InChIKeyKDMUIKFCHDFFAS-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.40
Rot. Bonds4

About N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride

N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride (PubChem CID 67087405) has the molecular formula C13H24Cl2N4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride
PubChem CID67087405
Molecular FormulaC13H24Cl2N4
Molecular Weight307.27 g/mol
Exact Mass306.14
IUPAC NameN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride
SMILESCC(C)CNc1cc(N2CCNCC2)ccn1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17;;/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16);2*1H
InChIKeyKDMUIKFCHDFFAS-UHFFFAOYSA-N
XLogP2.40
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride?
The IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride (CID 67087405) is N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride?
The canonical SMILES for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride is CC(C)CNc1cc(N2CCNCC2)ccn1.Cl.Cl.
What is the InChIKey of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride?
The InChIKey is KDMUIKFCHDFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.2ClH/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17;;/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16);2*1H.
What are the key properties of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride?
N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride is sourced from PubChem (CID 67087405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).