4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine

C12H20N4 — CID 63633710

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2ccnc(N)c2)CCN1C
InChIInChI=1S/C12H20N4/c1-10-8-16(6-5-15(10)2)9-11-3-4-14-12(13)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyCZBJTMQGWJWMOF-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.80
Rot. Bonds2

About 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine

4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 63633710) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID63633710
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2ccnc(N)c2)CCN1C
InChIInChI=1S/C12H20N4/c1-10-8-16(6-5-15(10)2)9-11-3-4-14-12(13)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14)
InChIKeyCZBJTMQGWJWMOF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine (CID 63633710) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine is CC1CN(Cc2ccnc(N)c2)CCN1C.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is CZBJTMQGWJWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-8-16(6-5-15(10)2)9-11-3-4-14-12(13)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,13,14).
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine?
4-[(3,4-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 4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63633710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).