4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine

C26H28ClF3N4 — CID 11648823

IUPAC4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccc(Cl)cc4)ccn3)CC2)c1
InChIInChI=1S/C26H28ClF3N4/c27-23-8-6-20(7-9-23)21-10-12-32-25(18-21)31-11-1-2-13-33-14-16-34(17-15-33)24-5-3-4-22(19-24)26(28,29)30/h3-10,12,18-19H,1-2,11,13-17H2,(H,31,32)
InChIKeyLCNBIGUISVZSJF-UHFFFAOYSA-N
MW488.99 g/mol
LogP6.44
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine

4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine (PubChem CID 11648823) has the molecular formula C26H28ClF3N4 and a molecular weight of 488.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
PubChem CID11648823
Molecular FormulaC26H28ClF3N4
Molecular Weight488.99 g/mol
Exact Mass488.20
IUPAC Name4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccc(Cl)cc4)ccn3)CC2)c1
InChIInChI=1S/C26H28ClF3N4/c27-23-8-6-20(7-9-23)21-10-12-32-25(18-21)31-11-1-2-13-33-14-16-34(17-15-33)24-5-3-4-22(19-24)26(28,29)30/h3-10,12,18-19H,1-2,11,13-17H2,(H,31,32)
InChIKeyLCNBIGUISVZSJF-UHFFFAOYSA-N
XLogP6.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 71187765
4-(furan-2-yl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11612009
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925323
5-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4299131
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile
CID 71934202
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
N-[4-[4-[3-(dichloromethyl)phenyl]piperazin-1-yl]butyl]-4-(2-methylphenyl)pyridin-2-amine
CID 69245717
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine;dihydrochloride
CID 162306694

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine (CID 11648823) is 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine is FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccc(Cl)cc4)ccn3)CC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine?
The InChIKey is LCNBIGUISVZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N4/c27-23-8-6-20(7-9-23)21-10-12-32-25(18-21)31-11-1-2-13-33-14-16-34(17-15-33)24-5-3-4-22(19-24)26(28,29)30/h3-10,12,18-19H,1-2,11,13-17H2,(H,31,32).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine?
4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine has a molecular weight of 488.99 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine is sourced from PubChem (CID 11648823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).