6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

C21H30N4 — CID 18414528

IUPAC6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23)
InChIKeySKHVMUAVXNDFIZ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.15
Rot. Bonds6

About 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine

6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 18414528) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID18414528
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1
InChIInChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23)
InChIKeySKHVMUAVXNDFIZ-UHFFFAOYSA-N
XLogP3.15
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 18414528) is 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is CC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1.
What is the InChIKey of 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is SKHVMUAVXNDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23).
What are the key properties of 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 338.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 18414528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).