5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine

C12H20N4 — CID 134555297

IUPAC5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
SMILESC[C@H]1CN(C)CCN1Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4/c1-10-8-15(2)5-6-16(10)9-11-3-4-12(13)14-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14)/t10-/m0/s1
InChIKeyOZAGUELHTWQVQU-JTQLQIEISA-N
MW220.32 g/mol
LogP0.80
Rot. Bonds2

About 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine

5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 134555297) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
PubChem CID134555297
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
SMILESC[C@H]1CN(C)CCN1Cc1ccc(N)nc1
InChIInChI=1S/C12H20N4/c1-10-8-15(2)5-6-16(10)9-11-3-4-12(13)14-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14)/t10-/m0/s1
InChIKeyOZAGUELHTWQVQU-JTQLQIEISA-N
XLogP0.80
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridin-2-amine
CID 104870271
[1-[(6-amino-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 62177163
3-[(2,4-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 71877621
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridin-2-amine
CID 55046361

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine (CID 134555297) is 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine is C[C@H]1CN(C)CCN1Cc1ccc(N)nc1.
What is the InChIKey of 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is OZAGUELHTWQVQU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4/c1-10-8-15(2)5-6-16(10)9-11-3-4-12(13)14-7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 134555297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).