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

C25H30N4 — CID 15512769

IUPAC6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27)
InChIKeyJPLKZTMYLGJGRL-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.73
Rot. Bonds7

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

6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 15512769) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID15512769
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27)
InChIKeyJPLKZTMYLGJGRL-UHFFFAOYSA-N
XLogP3.73
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.73
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-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 15512769) is 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(CCc4ccccc4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is JPLKZTMYLGJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27).
What are the key properties of 6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 386.54 g/mol, XLogP of 3.73, 7 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-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 15512769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).