4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one

C11H16N4O — CID 63595218

IUPAC4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cc(CN)ccn1
InChIInChI=1S/C11H16N4O/c1-8-11(16)14-4-5-15(8)10-6-9(7-12)2-3-13-10/h2-3,6,8H,4-5,7,12H2,1H3,(H,14,16)
InChIKeyACAYKMDXBKEALK-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.14
Rot. Bonds2

About 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one

4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one (PubChem CID 63595218) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one
PubChem CID63595218
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cc(CN)ccn1
InChIInChI=1S/C11H16N4O/c1-8-11(16)14-4-5-15(8)10-6-9(7-12)2-3-13-10/h2-3,6,8H,4-5,7,12H2,1H3,(H,14,16)
InChIKeyACAYKMDXBKEALK-UHFFFAOYSA-N
XLogP-0.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one (CID 63595218) is 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1c1cc(CN)ccn1.
What is the InChIKey of 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one?
The InChIKey is ACAYKMDXBKEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-11(16)14-4-5-15(8)10-6-9(7-12)2-3-13-10/h2-3,6,8H,4-5,7,12H2,1H3,(H,14,16).
What are the key properties of 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one?
4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one has a molecular weight of 220.28 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63595218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).