N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride

C11H19ClN4 — CID 71641763

IUPACN-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
SMILESCN(Cc1cnccn1)C1CCCNC1.Cl
InChIInChI=1S/C11H18N4.ClH/c1-15(11-3-2-4-12-8-11)9-10-7-13-5-6-14-10;/h5-7,11-12H,2-4,8-9H2,1H3;1H
InChIKeyJHXAYZHWAJTEGE-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride

N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride (PubChem CID 71641763) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
PubChem CID71641763
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
SMILESCN(Cc1cnccn1)C1CCCNC1.Cl
InChIInChI=1S/C11H18N4.ClH/c1-15(11-3-2-4-12-8-11)9-10-7-13-5-6-14-10;/h5-7,11-12H,2-4,8-9H2,1H3;1H
InChIKeyJHXAYZHWAJTEGE-UHFFFAOYSA-N
XLogP1.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride (CID 71641763) is N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride is CN(Cc1cnccn1)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride?
The InChIKey is JHXAYZHWAJTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.ClH/c1-15(11-3-2-4-12-8-11)9-10-7-13-5-6-14-10;/h5-7,11-12H,2-4,8-9H2,1H3;1H.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride?
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 71641763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).