1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

C13H21N4- — CID 21029903

IUPAC1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILES[CH2-]N1CCN(c2ncccc2CN(C)C)CC1
InChIInChI=1S/C13H21N4/c1-15(2)11-12-5-4-6-14-13(12)17-9-7-16(3)8-10-17/h4-6H,3,7-11H2,1-2H3/q-1
InChIKeyBNGKEKQJHIJOKA-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.06
Rot. Bonds3

About 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine

1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 21029903) has the molecular formula C13H21N4- and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID21029903
Molecular FormulaC13H21N4-
Molecular Weight233.34 g/mol
Exact Mass233.18
IUPAC Name1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
SMILES[CH2-]N1CCN(c2ncccc2CN(C)C)CC1
InChIInChI=1S/C13H21N4/c1-15(2)11-12-5-4-6-14-13(12)17-9-7-16(3)8-10-17/h4-6H,3,7-11H2,1-2H3/q-1
InChIKeyBNGKEKQJHIJOKA-UHFFFAOYSA-N
XLogP1.06
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255098
3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
CID 61421741
3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
CID 177170624
1-[2-(4-methoxy-3-methylpyrazol-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 175275821
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
3-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61256999
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63971575
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine (CID 21029903) is 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is [CH2-]N1CCN(c2ncccc2CN(C)C)CC1.
What is the InChIKey of 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is BNGKEKQJHIJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N4/c1-15(2)11-12-5-4-6-14-13(12)17-9-7-16(3)8-10-17/h4-6H,3,7-11H2,1-2H3/q-1.
What are the key properties of 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine?
1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 233.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 21029903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).