4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine

C14H24N4 — CID 62464864

IUPAC4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC(C)(C)N1CCN(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(15)10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,15,16)
InChIKeyARDLTUDWLWPCHW-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds2

About 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine

4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 62464864) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID62464864
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC(C)(C)N1CCN(Cc2ccnc(N)c2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(15)10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,15,16)
InChIKeyARDLTUDWLWPCHW-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine (CID 62464864) is 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine is CC(C)(C)N1CCN(Cc2ccnc(N)c2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is ARDLTUDWLWPCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,3)18-8-6-17(7-9-18)11-12-4-5-16-13(15)10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,15,16).
What are the key properties of 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine?
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62464864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).