1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone

C14H22N4O — CID 61176874

IUPAC1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-11(2)16-14(13(10)9-15)18-6-4-17(5-7-18)12(3)19/h8H,4-7,9,15H2,1-3H3
InChIKeyQLHHDMQYICFGCD-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.83
Rot. Bonds2

About 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 61176874) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID61176874
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-11(2)16-14(13(10)9-15)18-6-4-17(5-7-18)12(3)19/h8H,4-7,9,15H2,1-3H3
InChIKeyQLHHDMQYICFGCD-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone (CID 61176874) is 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1.
What is the InChIKey of 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is QLHHDMQYICFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-11(2)16-14(13(10)9-15)18-6-4-17(5-7-18)12(3)19/h8H,4-7,9,15H2,1-3H3.
What are the key properties of 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 61176874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).