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

C23H26N4 — CID 12016074

IUPAC6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C23H26N4/c24-23-8-4-7-22(25-23)20-11-9-19(10-12-20)13-14-26-15-17-27(18-16-26)21-5-2-1-3-6-21/h1-12H,13-18H2,(H2,24,25)
InChIKeySIDXGAUJNQFMSD-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.70
Rot. Bonds5

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

6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine (PubChem CID 12016074) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
PubChem CID12016074
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
SMILESNc1cccc(-c2ccc(CCN3CCN(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C23H26N4/c24-23-8-4-7-22(25-23)20-11-9-19(10-12-20)13-14-26-15-17-27(18-16-26)21-5-2-1-3-6-21/h1-12H,13-18H2,(H2,24,25)
InChIKeySIDXGAUJNQFMSD-UHFFFAOYSA-N
XLogP3.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
6-[4-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414394
6-[4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 18414414
6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 57257291
6-[4-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]phenyl]pyridin-2-amine;6-[4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 161043442
2,4-bis[4-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]piperazin-1-yl]-1,5-bis(4-chlorophenyl)pentan-3-one
CID 151062106
3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-N-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 18414455
1-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-1-benzylurea
CID 57279783
6-[2-cyclobutyloxy-4-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 54381772
8-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 18414542
3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
CID 60892068
2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
CID 18414488

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine (CID 12016074) is 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine is Nc1cccc(-c2ccc(CCN3CCN(c4ccccc4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine?
The InChIKey is SIDXGAUJNQFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c24-23-8-4-7-22(25-23)20-11-9-19(10-12-20)13-14-26-15-17-27(18-16-26)21-5-2-1-3-6-21/h1-12H,13-18H2,(H2,24,25).
What are the key properties of 6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine?
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine has a molecular weight of 358.49 g/mol, XLogP of 3.70, 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-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 12016074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).