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

C23H25ClN4 — CID 91335738

IUPAC6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C23H25ClN4/c24-20-8-10-21(11-9-20)28-16-14-27(15-17-28)13-12-18-4-6-19(7-5-18)22-2-1-3-23(25)26-22/h1-11H,12-17H2,(H2,25,26)
InChIKeyGZVPYJFJNBNPAI-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.35
Rot. Bonds5

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

6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 91335738) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
PubChem CID91335738
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccc(Cl)cc4)CC3)cc2)n1
InChIInChI=1S/C23H25ClN4/c24-20-8-10-21(11-9-20)28-16-14-27(15-17-28)13-12-18-4-6-19(7-5-18)22-2-1-3-23(25)26-22/h1-11H,12-17H2,(H2,25,26)
InChIKeyGZVPYJFJNBNPAI-UHFFFAOYSA-N
XLogP4.35
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.35
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-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine (CID 91335738) is 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(c4ccc(Cl)cc4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
The InChIKey is GZVPYJFJNBNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4/c24-20-8-10-21(11-9-20)28-16-14-27(15-17-28)13-12-18-4-6-19(7-5-18)22-2-1-3-23(25)26-22/h1-11H,12-17H2,(H2,25,26).
What are the key properties of 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine?
6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 392.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 91335738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).