6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine

C26H32N4 — CID 18414443

IUPAC6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCCN3CCN(CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C26H32N4/c27-26-10-4-9-25(28-26)24-13-11-23(12-14-24)8-5-16-29-18-20-30(21-19-29)17-15-22-6-2-1-3-7-22/h1-4,6-7,9-14H,5,8,15-21H2,(H2,27,28)
InChIKeyDZVHZPAFEACSKL-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.12
Rot. Bonds8

About 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine

6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine (PubChem CID 18414443) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
PubChem CID18414443
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC Name6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCCN3CCN(CCc4ccccc4)CC3)cc2)n1
InChIInChI=1S/C26H32N4/c27-26-10-4-9-25(28-26)24-13-11-23(12-14-24)8-5-16-29-18-20-30(21-19-29)17-15-22-6-2-1-3-7-22/h1-4,6-7,9-14H,5,8,15-21H2,(H2,27,28)
InChIKeyDZVHZPAFEACSKL-UHFFFAOYSA-N
XLogP4.12
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine (CID 18414443) is 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCCN3CCN(CCc4ccccc4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine?
The InChIKey is DZVHZPAFEACSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c27-26-10-4-9-25(28-26)24-13-11-23(12-14-24)8-5-16-29-18-20-30(21-19-29)17-15-22-6-2-1-3-7-22/h1-4,6-7,9-14H,5,8,15-21H2,(H2,27,28).
What are the key properties of 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine?
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine has a molecular weight of 400.57 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 18414443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).