N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine

C19H28N6O — CID 164620216

IUPACN'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
InChIInChI=1S/C19H28N6O/c20-7-10-23-19-18(16-3-1-14(11-21)2-4-16)24-12-17(25-19)26-13-15-5-8-22-9-6-15/h1-4,12,15,22H,5-11,13,20-21H2,(H,23,25)
InChIKeyIHVVNLCEOMVQPL-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.35
Rot. Bonds8

About N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine

N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine (PubChem CID 164620216) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine
PubChem CID164620216
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
InChIInChI=1S/C19H28N6O/c20-7-10-23-19-18(16-3-1-14(11-21)2-4-16)24-12-17(25-19)26-13-15-5-8-22-9-6-15/h1-4,12,15,22H,5-11,13,20-21H2,(H,23,25)
InChIKeyIHVVNLCEOMVQPL-UHFFFAOYSA-N
XLogP1.35
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine (CID 164620216) is N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine is NCCNc1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1.
What is the InChIKey of N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine?
The InChIKey is IHVVNLCEOMVQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c20-7-10-23-19-18(16-3-1-14(11-21)2-4-16)24-12-17(25-19)26-13-15-5-8-22-9-6-15/h1-4,12,15,22H,5-11,13,20-21H2,(H,23,25).
What are the key properties of N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine?
N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine has a molecular weight of 356.47 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 164620216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).