[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

C15H25N5 — CID 63009808

IUPAC[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H25N5/c16-11-14-15(18-6-5-17-14)20-9-3-13(4-10-20)12-19-7-1-2-8-19/h5-6,13H,1-4,7-12,16H2
InChIKeyMQUUJALJMDABGT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.25
Rot. Bonds4

About [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine

[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (PubChem CID 63009808) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
PubChem CID63009808
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H25N5/c16-11-14-15(18-6-5-17-14)20-9-3-13(4-10-20)12-19-7-1-2-8-19/h5-6,13H,1-4,7-12,16H2
InChIKeyMQUUJALJMDABGT-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine (CID 63009808) is [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is NCc1nccnc1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is MQUUJALJMDABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c16-11-14-15(18-6-5-17-14)20-9-3-13(4-10-20)12-19-7-1-2-8-19/h5-6,13H,1-4,7-12,16H2.
What are the key properties of [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine?
[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 63009808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).