N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine

C25H30N4 — CID 155543403

IUPACN,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2cccc(-c3ccc(-c4ccccc4)cc3)n2)CC1
InChIInChI=1S/C25H30N4/c1-27(2)15-16-28-17-19-29(20-18-28)25-10-6-9-24(26-25)23-13-11-22(12-14-23)21-7-4-3-5-8-21/h3-14H,15-20H2,1-2H3
InChIKeyBJXQVTNJTRYFRY-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.10
Rot. Bonds6

About N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine (PubChem CID 155543403) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine
PubChem CID155543403
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC NameN,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2cccc(-c3ccc(-c4ccccc4)cc3)n2)CC1
InChIInChI=1S/C25H30N4/c1-27(2)15-16-28-17-19-29(20-18-28)25-10-6-9-24(26-25)23-13-11-22(12-14-23)21-7-4-3-5-8-21/h3-14H,15-20H2,1-2H3
InChIKeyBJXQVTNJTRYFRY-UHFFFAOYSA-N
XLogP4.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine (CID 155543403) is N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine is CN(C)CCN1CCN(c2cccc(-c3ccc(-c4ccccc4)cc3)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
The InChIKey is BJXQVTNJTRYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-27(2)15-16-28-17-19-29(20-18-28)25-10-6-9-24(26-25)23-13-11-22(12-14-23)21-7-4-3-5-8-21/h3-14H,15-20H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine has a molecular weight of 386.54 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[6-(4-phenylphenyl)-2-pyridinyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 155543403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).