6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine

C17H26F3N3 — CID 139693229

IUPAC6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
SMILESNCCCCCCN1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H26F3N3/c18-17(19,20)15-7-3-4-8-16(15)23-13-11-22(12-14-23)10-6-2-1-5-9-21/h3-4,7-8H,1-2,5-6,9-14,21H2
InChIKeyZUQVEJMFAWVNPP-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.35
Rot. Bonds7

About 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine

6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine (PubChem CID 139693229) has the molecular formula C17H26F3N3 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
PubChem CID139693229
Molecular FormulaC17H26F3N3
Molecular Weight329.41 g/mol
Exact Mass329.21
IUPAC Name6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
SMILESNCCCCCCN1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H26F3N3/c18-17(19,20)15-7-3-4-8-16(15)23-13-11-22(12-14-23)10-6-2-1-5-9-21/h3-4,7-8H,1-2,5-6,9-14,21H2
InChIKeyZUQVEJMFAWVNPP-UHFFFAOYSA-N
XLogP3.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-(2-bromoethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 80667654
1-(2-chloroethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 63392309
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
CID 79737048
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
5-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304475
2-[4-[4-(1,3-dioxoisoindol-2-yl)butyl]piperazin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 59810985

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine?
The IUPAC name of 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine (CID 139693229) is 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine is NCCCCCCN1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine?
The InChIKey is ZUQVEJMFAWVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3/c18-17(19,20)15-7-3-4-8-16(15)23-13-11-22(12-14-23)10-6-2-1-5-9-21/h3-4,7-8H,1-2,5-6,9-14,21H2.
What are the key properties of 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine?
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine has a molecular weight of 329.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine is sourced from PubChem (CID 139693229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).