N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

C16H27N5 — CID 66450694

IUPACN-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-17-10-15-11-18-12-16(19-15)21-8-4-14(5-9-21)13-20-6-2-3-7-20/h11-12,14,17H,2-10,13H2,1H3
InChIKeyGWAZYFYKMYRGCP-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.51
Rot. Bonds5

About N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 66450694) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
PubChem CID66450694
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-17-10-15-11-18-12-16(19-15)21-8-4-14(5-9-21)13-20-6-2-3-7-20/h11-12,14,17H,2-10,13H2,1H3
InChIKeyGWAZYFYKMYRGCP-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (CID 66450694) is N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is CNCc1cncc(N2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is GWAZYFYKMYRGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-17-10-15-11-18-12-16(19-15)21-8-4-14(5-9-21)13-20-6-2-3-7-20/h11-12,14,17H,2-10,13H2,1H3.
What are the key properties of N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 289.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 66450694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).