[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

C12H20N4 — CID 63888635

IUPAC[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCN1CCN(Cc2ccnc(CN)c2)CC1
InChIInChI=1S/C12H20N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,9-10,13H2,1H3
InChIKeyDELKVYNVWBIJBH-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.29
Rot. Bonds3

About [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63888635) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63888635
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCN1CCN(Cc2ccnc(CN)c2)CC1
InChIInChI=1S/C12H20N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,9-10,13H2,1H3
InChIKeyDELKVYNVWBIJBH-UHFFFAOYSA-N
XLogP0.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888263
ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107876899
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 63886661
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (CID 63888635) is [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is CN1CCN(Cc2ccnc(CN)c2)CC1.
What is the InChIKey of [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is DELKVYNVWBIJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-4-6-16(7-5-15)10-11-2-3-14-12(8-11)9-13/h2-3,8H,4-7,9-10,13H2,1H3.
What are the key properties of [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63888635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).